[1-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate

Systemtic Name: [1-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 1-thiophen-2-ylcarbonylpiperidine-4-carboxylate Openeye Name: [2-(4-chloro-2-methoxy-5-methyl-anilino)-1-methyl-2-oxo-ethyl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate CAS Name: 1-[oxo(thiophen-2-yl)methyl]-4-piperidinecarboxylic acid [1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-chloro-2-methoxy-5-methylanilino)-1-oxopropan-2-yl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(2-thenoyl)isonipecotic acid [2-(4-chloro-2-methoxy-5-methyl-anilino)-2-keto-1-methyl-ethyl] ester Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(C)OC(=O)C2CCN(CC2)C(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)NC(=O)C(C)OC(=O)C2CCN(CC2)C(=O)C3=CC=CS3

InChI

InChI=1S/C22H25ClN2O5S/c1-13-11-17(18(29-3)12-16(13)23)24-20(26)14(2)30-22(28)15-6-8-25(9-7-15)21(27)19-5-4-10-31-19/h4-5,10-12,14-15H,6-9H2,1-3H3,(H,24,26)