[2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate

Systemtic Name: [2-(4-aminocarbonylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Openeye Name: [2-(4-carbamoyl-1-piperidyl)-2-oxo-ethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate CAS Name: 3-[(3,4-dimethylphenyl)thio]propanoic acid [2-(4-carbamoyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl] 3-(3,4-dimethylphenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-dimethylphenyl)thio]propionic acid [2-(4-carbamoylpiperidino)-2-keto-ethyl] ester Formula: C19H26N2O4S MolecularWeight: 378.48574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(=O)OCC(=O)N2CCC(CC2)C(=O)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCCC(=O)OCC(=O)N2CCC(CC2)C(=O)N)C

InChI

InChI=1S/C19H26N2O4S/c1-13-3-4-16(11-14(13)2)26-10-7-18(23)25-12-17(22)21-8-5-15(6-9-21)19(20)24/h3-4,11,15H,5-10,12H2,1-2H3,(H2,20,24)