S-[(3Z)-3-(pyridin-2-ylmethylidene)piperidin-4-yl] ethanethioate dihydrochloride

Systemtic Name: S-[(3Z)-3-(pyridin-2-ylmethylidene)piperidin-4-yl] ethanethioate dihydrochloride Openeye Name: S-[(3Z)-3-(2-pyridylmethylene)-4-piperidyl] ethanethioate dihydrochloride CAS Name: ethanethioic acid S-[(3Z)-3-(2-pyridinylmethylidene)-4-piperidinyl] ester dihydrochloride IUPAC Name: S-[(3Z)-3-(pyridin-2-ylmethylidene)piperidin-4-yl] ethanethioate dihydrochloride Traditional Name: ethanethioic acid S-[(3Z)-3-(2-pyridylmethylene)-4-piperidyl] ester dihydrochloride Formula: C13H18Cl2N2OS MolecularWeight: 321.26582

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CCNCC1=CC2=CC=CC=N2.Cl.Cl

Isomeric SMILES

CC(=O)SC\1CCNC/C1=C/C2=CC=CC=N2.Cl.Cl

InChI

InChI=1S/C13H16N2OS.2ClH/c1-10(16)17-13-5-7-14-9-11(13)8-12-4-2-3-6-15-12;;/h2-4,6,8,13-14H,5,7,9H2,1H3;2*1H/b11-8-;;