methyl 4-(phenylcarbonyl)-3-(phenylmethoxycarbonylamino)-6-phenylsulfanyl-cyclohexene-1-carboxylate

Systemtic Name: methyl 4-(phenylcarbonyl)-3-(phenylmethoxycarbonylamino)-6-phenylsulfanyl-cyclohexene-1-carboxylate Openeye Name: methyl 4-benzoyl-3-(benzyloxycarbonylamino)-6-phenylsulfanyl-cyclohexene-1-carboxylate CAS Name: 4-benzoyl-3-(phenylmethoxycarbonylamino)-6-(phenylthio)-1-cyclohexenecarboxylic acid methyl ester IUPAC Name: methyl 4-benzoyl-3-(phenylmethoxycarbonylamino)-6-phenylsulfanylcyclohexene-1-carboxylate Traditional Name: 4-benzoyl-3-(benzyloxycarbonylamino)-6-(phenylthio)cyclohexene-1-carboxylic acid methyl ester Formula: C29H27NO5S MolecularWeight: 501.59338

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(C(CC1SC2=CC=CC=C2)C(=O)C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(C(CC1SC2=CC=CC=C2)C(=O)C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H27NO5S/c1-34-28(32)24-17-25(30-29(33)35-19-20-11-5-2-6-12-20)23(27(31)21-13-7-3-8-14-21)18-26(24)36-22-15-9-4-10-16-22/h2-17,23,25-26H,18-19H2,1H3,(H,30,33)