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

Systemtic Name: (diphenylmethyl) 8-oxidanylidene-7-[(phenylmethylidene)amino]-3-prop-2-enyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: benzhydryl 3-allyl-7-(benzylideneamino)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-7-[(phenylmethylene)amino]-3-prop-2-enyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 7-(benzylideneamino)-8-oxo-3-prop-2-enyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-allyl-7-(benzalamino)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester Formula: C30H26N2O3S MolecularWeight: 494.60404

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=C(N2C(C(C2=O)N=CC3=CC=CC=C3)SC1)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C=CCC1=C(N2C(C(C2=O)N=CC3=CC=CC=C3)SC1)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H26N2O3S/c1-2-12-24-20-36-29-25(31-19-21-13-6-3-7-14-21)28(33)32(29)26(24)30(34)35-27(22-15-8-4-9-16-22)23-17-10-5-11-18-23/h2-11,13-19,25,27,29H,1,12,20H2