ethyl 1-(3,4-dimethoxyphenyl)carbothioylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-(3,4-dimethoxyphenyl)carbothioylpiperidine-4-carboxylate Openeye Name: ethyl 1-(3,4-dimethoxybenzenecarbothioyl)piperidine-4-carboxylate CAS Name: 1-[(3,4-dimethoxyphenyl)-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3,4-dimethoxybenzenecarbothioyl)piperidine-4-carboxylate Traditional Name: 1-(3,4-dimethoxythiobenzoyl)isonipecotic acid ethyl ester Formula: C17H23NO4S MolecularWeight: 337.43382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO4S/c1-4-22-17(19)12-7-9-18(10-8-12)16(23)13-5-6-14(20-2)15(11-13)21-3/h5-6,11-12H,4,7-10H2,1-3H3