(diphenylmethyl) 7-[[(2E)-2-[2-(2-chloranylethanoylamino)-1,3-thiazol-4-yl]-2-methoxyimino-ethanoyl]amino]-3-[(E)-methoxyiminomethyl]-4-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 7-[[(2E)-2-[2-(2-chloranylethanoylamino)-1,3-thiazol-4-yl]-2-methoxyimino-ethanoyl]amino]-3-[(E)-methoxyiminomethyl]-4-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-[[(2E)-2-[2-[(2-chloroacetyl)amino]thiazol-4-yl]-2-methoxyimino-acetyl]amino]-3-[(E)-methoxyiminomethyl]-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[[(2E)-2-[2-[(2-chloro-1-oxoethyl)amino]-4-thiazolyl]-2-methoxyimino-1-oxoethyl]amino]-3-[(E)-methoxyiminomethyl]-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-[[(2E)-2-[2-[(2-chloroacetyl)amino]-1,3-thiazol-4-yl]-2-methoxyiminoacetyl]amino]-3-[(E)-methoxyiminomethyl]-4-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[[(2E)-2-[2-[(2-chloroacetyl)amino]thiazol-4-yl]-2-methyloximino-acetyl]amino]-8-keto-4-methyl-3-[(E)-methyloximinomethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C31H29ClN6O7S2 MolecularWeight: 697.18096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=C(N2C(S1)C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)NC(=O)CCl)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)C=NOC

Isomeric SMILES

CC1C(=C(N2C(S1)C(C2=O)NC(=O)/C(=N/OC)/C3=CSC(=N3)NC(=O)CCl)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)/C=N/OC

InChI

InChI=1S/C31H29ClN6O7S2/c1-17-20(15-33-43-2)25(30(42)45-26(18-10-6-4-7-11-18)19-12-8-5-9-13-19)38-28(41)24(29(38)47-17)36-27(40)23(37-44-3)21-16-46-31(34-21)35-22(39)14-32/h4-13,15-17,24,26,29H,14H2,1-3H3,(H,36,40)(H,34,35,39)/b33-15+,37-23+