ethyl 1-(4-ethoxy-3-methoxy-phenyl)carbothioylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-(4-ethoxy-3-methoxy-phenyl)carbothioylpiperidine-4-carboxylate Openeye Name: ethyl 1-(4-ethoxy-3-methoxy-benzenecarbothioyl)piperidine-4-carboxylate CAS Name: 1-[(4-ethoxy-3-methoxyphenyl)-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-ethoxy-3-methoxybenzenecarbothioyl)piperidine-4-carboxylate Traditional Name: 1-(4-ethoxy-3-methoxy-thiobenzoyl)isonipecotic acid ethyl ester Formula: C18H25NO4S MolecularWeight: 351.4604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=S)N2CCC(CC2)C(=O)OCC)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=S)N2CCC(CC2)C(=O)OCC)OC

InChI

InChI=1S/C18H25NO4S/c1-4-22-15-7-6-14(12-16(15)21-3)17(24)19-10-8-13(9-11-19)18(20)23-5-2/h6-7,12-13H,4-5,8-11H2,1-3H3