ethyl 1-(1,3-benzodioxol-5-ylcarbamothioyl)piperidine-3-carboxylate

Systemtic Name: ethyl 1-(1,3-benzodioxol-5-ylcarbamothioyl)piperidine-3-carboxylate Openeye Name: ethyl 1-(1,3-benzodioxol-5-ylcarbamothioyl)piperidine-3-carboxylate CAS Name: 1-[(1,3-benzodioxol-5-ylamino)-sulfanylidenemethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(1,3-benzodioxol-5-ylcarbamothioyl)piperidine-3-carboxylate Traditional Name: 1-(1,3-benzodioxol-5-ylthiocarbamoyl)nipecotic acid ethyl ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=S)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=S)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H20N2O4S/c1-2-20-15(19)11-4-3-7-18(9-11)16(23)17-12-5-6-13-14(8-12)22-10-21-13/h5-6,8,11H,2-4,7,9-10H2,1H3,(H,17,23)