(diphenylmethyl) 7-azanyl-8-oxidanylidene-3-[(E)-2-pyridin-3-ylsulfanylethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 7-azanyl-8-oxidanylidene-3-[(E)-2-pyridin-3-ylsulfanylethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-amino-8-oxo-3-[(E)-2-(3-pyridylsulfanyl)vinyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-8-oxo-3-[(E)-2-(3-pyridinylthio)ethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-amino-8-oxo-3-[(E)-2-pyridin-3-ylsulfanylethenyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-8-keto-3-[(E)-2-(3-pyridylthio)vinyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C27H23N3O3S2 MolecularWeight: 501.61982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)N)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)C=CSC5=CN=CC=C5

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)N)C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)/C=C/SC5=CN=CC=C5

InChI

InChI=1S/C27H23N3O3S2/c28-22-25(31)30-23(20(17-35-26(22)30)13-15-34-21-12-7-14-29-16-21)27(32)33-24(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-16,22,24,26H,17,28H2/b15-13+