[2-[methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpiperidine-3-carboxylate

Systemtic Name: [2-[methyl-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 1-thiophen-2-ylcarbonylpiperidine-3-carboxylate Openeye Name: [2-[methyl-[2-(4-methylanilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-3-piperidinecarboxylic acid [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(thiophene-2-carbonyl)piperidine-3-carboxylate Traditional Name: 1-(2-thenoyl)nipecotic acid [2-keto-2-[[2-keto-2-(p-toluidino)ethyl]-methyl-amino]ethyl] ester Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)COC(=O)C2CCCN(C2)C(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)COC(=O)C2CCCN(C2)C(=O)C3=CC=CS3

InChI

InChI=1S/C23H27N3O5S/c1-16-7-9-18(10-8-16)24-20(27)14-25(2)21(28)15-31-23(30)17-5-3-11-26(13-17)22(29)19-6-4-12-32-19/h4,6-10,12,17H,3,5,11,13-15H2,1-2H3,(H,24,27)