ethyl 1-(4-chlorophenyl)carbothioylpiperidine-3-carboxylate

Systemtic Name: ethyl 1-(4-chlorophenyl)carbothioylpiperidine-3-carboxylate Openeye Name: ethyl 1-(4-chlorobenzenecarbothioyl)piperidine-3-carboxylate CAS Name: 1-[(4-chlorophenyl)-sulfanylidenemethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-chlorobenzenecarbothioyl)piperidine-3-carboxylate Traditional Name: 1-(4-chlorothiobenzoyl)nipecotic acid ethyl ester Formula: C15H18ClNO2S MolecularWeight: 311.82692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=S)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=S)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C15H18ClNO2S/c1-2-19-15(18)12-4-3-9-17(10-12)14(20)11-5-7-13(16)8-6-11/h5-8,12H,2-4,9-10H2,1H3