ethyl 1-(2-ethoxyphenyl)carbothioylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-(2-ethoxyphenyl)carbothioylpiperidine-4-carboxylate Openeye Name: ethyl 1-(2-ethoxybenzenecarbothioyl)piperidine-4-carboxylate CAS Name: 1-[(2-ethoxyphenyl)-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-ethoxybenzenecarbothioyl)piperidine-4-carboxylate Traditional Name: 1-(2-ethoxythiobenzoyl)isonipecotic acid ethyl ester Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C(=S)N2CCC(CC2)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1C(=S)N2CCC(CC2)C(=O)OCC

InChI

InChI=1S/C17H23NO3S/c1-3-20-15-8-6-5-7-14(15)16(22)18-11-9-13(10-12-18)17(19)21-4-2/h5-8,13H,3-4,9-12H2,1-2H3