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

Systemtic Name: ethyl 1-(3-methoxy-4-phenylmethoxy-phenyl)carbothioylpiperidine-4-carboxylate Openeye Name: ethyl 1-(4-benzyloxy-3-methoxy-benzenecarbothioyl)piperidine-4-carboxylate CAS Name: 1-[(3-methoxy-4-phenylmethoxyphenyl)-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-methoxy-4-phenylmethoxybenzenecarbothioyl)piperidine-4-carboxylate Traditional Name: 1-(4-benzoxy-3-methoxy-thiobenzoyl)isonipecotic acid ethyl ester Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=S)C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=S)C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C23H27NO4S/c1-3-27-23(25)18-11-13-24(14-12-18)22(29)19-9-10-20(21(15-19)26-2)28-16-17-7-5-4-6-8-17/h4-10,15,18H,3,11-14,16H2,1-2H3