ethyl 4-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]piperidine-1-carboxylate

Systemtic Name: ethyl 4-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]piperidine-1-carboxylate CAS Name: 4-[[3-[(3,4-dimethylphenyl)thio]-1-oxopropyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-(3,4-dimethylphenyl)sulfanylpropanoylamino]piperidine-1-carboxylate Traditional Name: 4-[3-[(3,4-dimethylphenyl)thio]propanoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C19H28N2O3S MolecularWeight: 364.50222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CCSC2=CC(=C(C=C2)C)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CCSC2=CC(=C(C=C2)C)C

InChI

InChI=1S/C19H28N2O3S/c1-4-24-19(23)21-10-7-16(8-11-21)20-18(22)9-12-25-17-6-5-14(2)15(3)13-17/h5-6,13,16H,4,7-12H2,1-3H3,(H,20,22)