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

Systemtic Name: (diphenylmethyl) 3-(acetyloxymethyl)-7-[(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-7-ethoxy-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 3-(acetoxymethyl)-7-[(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-7-ethoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(acetyloxymethyl)-7-[(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-7-ethoxy-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-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-7-ethoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(acetoxymethyl)-7-[(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)methylamino]-7-ethoxy-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C40H46N2O7S MolecularWeight: 698.86744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1(C2N(C1=O)C(=C(CS2)COC(=O)C)C(=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

CCOC1(C2N(C1=O)C(=C(CS2)COC(=O)C)C(=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/C40H46N2O7S/c1-9-48-40(41-22-26-20-30(38(3,4)5)33(44)31(21-26)39(6,7)8)36(46)42-32(29(23-47-25(2)43)24-50-37(40)42)35(45)49-34(27-16-12-10-13-17-27)28-18-14-11-15-19-28/h10-22,34,37,41H,9,23-24H2,1-8H3