ethyl 1-(4-methoxyphenyl)carbothioylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-(4-methoxyphenyl)carbothioylpiperidine-4-carboxylate Openeye Name: ethyl 1-(4-methoxybenzenecarbothioyl)piperidine-4-carboxylate CAS Name: 1-[(4-methoxyphenyl)-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-methoxybenzenecarbothioyl)piperidine-4-carboxylate Traditional Name: 1-(4-methoxythiobenzoyl)isonipecotic acid ethyl ester Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)C2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)C2=CC=C(C=C2)OC

InChI

InChI=1S/C16H21NO3S/c1-3-20-16(18)13-8-10-17(11-9-13)15(21)12-4-6-14(19-2)7-5-12/h4-7,13H,3,8-11H2,1-2H3