(diphenylmethyl) 3-[(3-chlorophenyl)carbamoyloxymethyl]-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 3-[(3-chlorophenyl)carbamoyloxymethyl]-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Openeye Name: benzhydryl 3-[(3-chlorophenyl)carbamoyloxymethyl]-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate CAS Name: 3-[[(3-chloroanilino)-oxomethoxy]methyl]-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 3-[(3-chlorophenyl)carbamoyloxymethyl]-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Traditional Name: 3-[(3-chlorophenyl)carbamoyloxymethyl]-8-keto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid benzhydryl ester Formula: C36H30ClN3O6S MolecularWeight: 668.1579

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC2C3N(C2=O)C(C(=CS3)COC(=O)NC4=CC(=CC=C4)Cl)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC2C3N(C2=O)C(C(=CS3)COC(=O)NC4=CC(=CC=C4)Cl)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C36H30ClN3O6S/c37-27-17-10-18-28(20-27)38-36(44)45-21-26-22-47-34-30(39-29(41)19-23-11-4-1-5-12-23)33(42)40(34)31(26)35(43)46-32(24-13-6-2-7-14-24)25-15-8-3-9-16-25/h1-18,20,22,30-32,34H,19,21H2,(H,38,44)(H,39,41)