(diphenylmethyl) 3-isocyanato-8-oxidanylidene-7-(phenylmethoxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate

Systemtic Name: (diphenylmethyl) 3-isocyanato-8-oxidanylidene-7-(phenylmethoxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Openeye Name: benzhydryl 7-(benzyloxycarbonylamino)-3-isocyanato-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate CAS Name: 3-isocyanato-8-oxo-7-(phenylmethoxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 3-isocyanato-8-oxo-7-(phenylmethoxycarbonylamino)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Traditional Name: 7-(benzyloxycarbonylamino)-3-isocyanato-8-keto-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid benzhydryl ester Formula: C29H23N3O6S MolecularWeight: 541.57442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2C3N(C2=O)C(C(=CS3)N=C=O)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2C3N(C2=O)C(C(=CS3)N=C=O)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H23N3O6S/c33-18-30-22-17-39-27-23(31-29(36)37-16-19-10-4-1-5-11-19)26(34)32(27)24(22)28(35)38-25(20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,17,23-25,27H,16H2,(H,31,36)