ethyl 1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]carbothioylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]carbothioylpiperidine-4-carboxylate Openeye Name: ethyl 1-[3-methoxy-4-(p-tolylmethoxy)benzenecarbothioyl]piperidine-4-carboxylate CAS Name: 1-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-sulfanylidenemethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-methoxy-4-[(4-methylphenyl)methoxy]benzenecarbothioyl]piperidine-4-carboxylate Traditional Name: 1-[3-methoxy-4-(4-methylbenzyl)oxy-thiobenzoyl]isonipecotic acid ethyl ester Formula: C24H29NO4S MolecularWeight: 427.55636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29NO4S/c1-4-28-24(26)19-11-13-25(14-12-19)23(30)20-9-10-21(22(15-20)27-3)29-16-18-7-5-17(2)6-8-18/h5-10,15,19H,4,11-14,16H2,1-3H3