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

Systemtic Name: (diphenylmethyl) 3-(acetyloxymethyl)-7-[(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Openeye Name: benzhydryl 3-(acetoxymethyl)-7-[(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate CAS Name: 3-(acetyloxymethyl)-7-[(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 3-(acetyloxymethyl)-7-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Traditional Name: 3-(acetoxymethyl)-7-[(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid benzhydryl ester Formula: C38H42N2O6S MolecularWeight: 654.81488

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=CSC2C(C(=O)N2C1C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)NC=C5C=C(C(=O)C(=C5)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC(=O)OCC1=CSC2C(C(=O)N2C1C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)NC=C5C=C(C(=O)C(=C5)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C38H42N2O6S/c1-23(41)45-21-27-22-47-35-30(39-20-24-18-28(37(2,3)4)32(42)29(19-24)38(5,6)7)34(43)40(35)31(27)36(44)46-33(25-14-10-8-11-15-25)26-16-12-9-13-17-26/h8-20,22,30-31,33,35,39H,21H2,1-7H3