[1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(4-methylphenyl)-6-oxidanylidene-2-thiophen-2-yl-piperidine-3-carboxylate

Systemtic Name: [1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 1-(4-methylphenyl)-6-oxidanylidene-2-thiophen-2-yl-piperidine-3-carboxylate Openeye Name: [1-methyl-2-(2-methylanilino)-2-oxo-ethyl] 6-oxo-1-(p-tolyl)-2-(2-thienyl)piperidine-3-carboxylate CAS Name: 1-(4-methylphenyl)-6-oxo-2-thiophen-2-yl-3-piperidinecarboxylic acid [1-(2-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-methylanilino)-1-oxopropan-2-yl] 1-(4-methylphenyl)-6-oxo-2-thiophen-2-ylpiperidine-3-carboxylate Traditional Name: 6-keto-1-(p-tolyl)-2-(2-thienyl)nipecotic acid [2-keto-1-methyl-2-(o-toluidino)ethyl] ester Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)OC(C)C(=O)NC3=CC=CC=C3C)C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(C(CCC2=O)C(=O)OC(C)C(=O)NC3=CC=CC=C3C)C4=CC=CS4

InChI

InChI=1S/C27H28N2O4S/c1-17-10-12-20(13-11-17)29-24(30)15-14-21(25(29)23-9-6-16-34-23)27(32)33-19(3)26(31)28-22-8-5-4-7-18(22)2/h4-13,16,19,21,25H,14-15H2,1-3H3,(H,28,31)