ethyl 1-[2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[2-(3-methylanilino)-2-oxo-ethyl]sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[2-[[2-(3-methylanilino)-2-oxoethyl]thio]-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[2-keto-2-(m-toluidino)ethyl]thio]acetyl]isonipecotic acid ethyl ester Formula: C19H26N2O4S MolecularWeight: 378.48574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)CSCC(=O)NC2=CC=CC(=C2)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)CSCC(=O)NC2=CC=CC(=C2)C

InChI

InChI=1S/C19H26N2O4S/c1-3-25-19(24)15-7-9-21(10-8-15)18(23)13-26-12-17(22)20-16-6-4-5-14(2)11-16/h4-6,11,15H,3,7-10,12-13H2,1-2H3,(H,20,22)