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

Systemtic Name: (diphenylmethyl) 8-oxidanylidene-7-(2-phenylethanoylamino)-3-prop-2-enyl-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Openeye Name: benzhydryl 3-allyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate CAS Name: 8-oxo-7-[(1-oxo-2-phenylethyl)amino]-3-prop-2-enyl-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 8-oxo-7-[(2-phenylacetyl)amino]-3-prop-2-enyl-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Traditional Name: 3-allyl-8-keto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid benzhydryl ester Formula: C31H28N2O4S MolecularWeight: 524.63002

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CSC2C(C(=O)N2C1C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)CC5=CC=CC=C5

Isomeric SMILES

C=CCC1=CSC2C(C(=O)N2C1C(=O)OC(C3=CC=CC=C3)C4=CC=CC=C4)NC(=O)CC5=CC=CC=C5

InChI

InChI=1S/C31H28N2O4S/c1-2-12-24-20-38-30-26(32-25(34)19-21-13-6-3-7-14-21)29(35)33(30)27(24)31(36)37-28(22-15-8-4-9-16-22)23-17-10-5-11-18-23/h2-11,13-18,20,26-28,30H,1,12,19H2,(H,32,34)