(diphenylmethyl) 3-(acetyloxymethyl)-7-[(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-7-methoxy-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]-7-methoxy-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]-7-methoxy-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]-7-methoxy-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]-7-methoxy-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-7-methoxy-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid benzhydryl ester Formula: C39H44N2O7S MolecularWeight: 684.84086

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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)OC

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)OC

InChI

InChI=1S/C39H44N2O7S/c1-24(42)47-22-28-23-49-36-39(46-8,40-21-25-19-29(37(2,3)4)32(43)30(20-25)38(5,6)7)35(45)41(36)31(28)34(44)48-33(26-15-11-9-12-16-26)27-17-13-10-14-18-27/h9-21,23,31,33,36,40H,22H2,1-8H3