ethyl (3S)-1-[(3,4,5-trimethoxyphenyl)carbamothioyl]piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-[(3,4,5-trimethoxyphenyl)carbamothioyl]piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-[(3,4,5-trimethoxyphenyl)carbamothioyl]piperidine-3-carboxylate CAS Name: (3S)-1-[sulfanylidene-(3,4,5-trimethoxyanilino)methyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[(3,4,5-trimethoxyphenyl)carbamothioyl]piperidine-3-carboxylate Traditional Name: (3S)-1-[(3,4,5-trimethoxyphenyl)thiocarbamoyl]nipecotic acid ethyl ester Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=S)NC2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CCOC(=O)[C@H]1CCCN(C1)C(=S)NC2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C18H26N2O5S/c1-5-25-17(21)12-7-6-8-20(11-12)18(26)19-13-9-14(22-2)16(24-4)15(10-13)23-3/h9-10,12H,5-8,11H2,1-4H3,(H,19,26)/t12-/m0/s1