(diphenylmethyl) 3-(acetyloxymethyl)-7-[(3,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 3-(acetyloxymethyl)-7-[(3,5-dimethyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 3-(acetoxymethyl)-7-[(3,5-dimethyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(acetyloxymethyl)-7-[(3,5-dimethyl-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 3-(acetyloxymethyl)-7-[(3,5-dimethyl-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(acetoxymethyl)-8-keto-7-[(4-keto-3,5-dimethyl-cyclohexa-2,5-dien-1-ylidene)methylamino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C32H30N2O6S MolecularWeight: 570.6554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CNC2C3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)C=C(C1=O)C

Isomeric SMILES

CC1=CC(=CNC2C3N(C2=O)C(=C(CS3)COC(=O)C)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5)C=C(C1=O)C

InChI

InChI=1S/C32H30N2O6S/c1-19-14-22(15-20(2)28(19)36)16-33-26-30(37)34-27(25(17-39-21(3)35)18-41-31(26)34)32(38)40-29(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-16,26,29,31,33H,17-18H2,1-3H3