(diphenylmethyl) 7-[[(2Z)-2-hydroxyimino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino]-8-oxidanylidene-3-[(E)-3-(6-oxidanylideneisoquinolin-2-yl)prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 7-[[(2Z)-2-hydroxyimino-2-[2-[(triphenylmethyl)amino]-1,3-thiazol-4-yl]ethanoyl]amino]-8-oxidanylidene-3-[(E)-3-(6-oxidanylideneisoquinolin-2-yl)prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-[[(2Z)-2-hydroxyimino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-8-oxo-3-[(E)-3-(6-oxo-2-isoquinolyl)prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2Z)-2-hydroxyimino-1-oxo-2-[2-[(triphenylmethyl)amino]-4-thiazolyl]ethyl]amino]-8-oxo-3-[(E)-3-(6-oxo-2-isoquinolinyl)prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-[[(2Z)-2-hydroxyimino-2-[2-(tritylamino)-1,3-thiazol-4-yl]acetyl]amino]-8-oxo-3-[(E)-3-(6-oxoisoquinolin-2-yl)prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(2Z)-2-hydroximino-2-[2-(tritylamino)thiazol-4-yl]acetyl]amino]-8-keto-3-[(E)-3-(6-keto-2-isoquinolyl)prop-1-enyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C56H44N6O6S2 MolecularWeight: 961.11516

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NO)C3=CSC(=N3)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)OC(C7=CC=CC=C7)C8=CC=CC=C8)C=CCN9C=CC1=CC(=O)C=CC1=C9

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)/C(=N\O)/C3=CSC(=N3)NC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C(=O)OC(C7=CC=CC=C7)C8=CC=CC=C8)/C=C/CN9C=CC1=CC(=O)C=CC1=C9

InChI

InChI=1S/C56H44N6O6S2/c63-45-29-28-40-34-61(32-30-39(40)33-45)31-16-21-41-35-69-53-48(52(65)62(53)49(41)54(66)68-50(37-17-6-1-7-18-37)38-19-8-2-9-20-38)58-51(64)47(60-67)46-36-70-55(57-46)59-56(42-22-10-3-11-23-42,43-24-12-4-13-25-43)44-26-14-5-15-27-44/h1-30,32-34,36,48,50,53,67H,31,35H2,(H,57,59)(H,58,64)/b21-16+,60-47-