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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=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

C=CCC1=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/c1-2-12-23-20-39-30-26(33-25(35)19-32-24-17-10-5-11-18-24)29(36)34(30)27(23)31(37)38-28(21-13-6-3-7-14-21)22-15-8-4-9-16-22/h2-11,13-18,26,28,30,32H,1,12,19-20H2,(H,33,35)