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

Systemtic Name: ethyl 4-[2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylpropanoylamino]piperidine-1-carboxylate CAS Name: 4-[[2-[[2-(4-methylanilino)-2-oxoethyl]thio]-1-oxopropyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanoylamino]piperidine-1-carboxylate Traditional Name: 4-[2-[[2-keto-2-(p-toluidino)ethyl]thio]propanoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C20H29N3O4S MolecularWeight: 407.52696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C(C)SCC(=O)NC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C(C)SCC(=O)NC2=CC=C(C=C2)C

InChI

InChI=1S/C20H29N3O4S/c1-4-27-20(26)23-11-9-17(10-12-23)22-19(25)15(3)28-13-18(24)21-16-7-5-14(2)6-8-16/h5-8,15,17H,4,9-13H2,1-3H3,(H,21,24)(H,22,25)