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

Systemtic Name: (diphenylmethyl) 8-oxidanylidene-7-(2-phenylazanylethanoylamino)-3-prop-1-en-2-yl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 7-[(2-anilinoacetyl)amino]-3-isopropenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-[(2-anilino-1-oxoethyl)amino]-3-(1-methylethenyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-[(2-anilinoacetyl)amino]-8-oxo-3-prop-1-en-2-yl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-[(2-anilinoacetyl)amino]-3-isopropenyl-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C31H29N3O4S MolecularWeight: 539.64466

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=C(N2C(C(C2=O)NC(=O)CNC3=CC=CC=C3)SC1)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(=C)C1=C(N2C(C(C2=O)NC(=O)CNC3=CC=CC=C3)SC1)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H29N3O4S/c1-20(2)24-19-39-30-26(33-25(35)18-32-23-16-10-5-11-17-23)29(36)34(30)27(24)31(37)38-28(21-12-6-3-7-13-21)22-14-8-4-9-15-22/h3-17,26,28,30,32H,1,18-19H2,2H3,(H,33,35)