ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)piperidine-3-carboxylate

Systemtic Name: ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)piperidine-3-carboxylate Openeye Name: ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)piperidine-3-carboxylate CAS Name: 1-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-sulfanylidenemethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamothioyl)piperidine-3-carboxylate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylthiocarbamoyl)nipecotic acid ethyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=S)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=S)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H22N2O4S/c1-2-21-16(20)12-4-3-7-19(11-12)17(24)18-13-5-6-14-15(10-13)23-9-8-22-14/h5-6,10,12H,2-4,7-9,11H2,1H3,(H,18,24)