S-[(3Z)-3-(furan-3-ylmethylidene)piperidin-4-yl] ethanethioate hydrochloride

Systemtic Name: S-[(3Z)-3-(furan-3-ylmethylidene)piperidin-4-yl] ethanethioate hydrochloride Openeye Name: S-[(3Z)-3-(3-furylmethylene)-4-piperidyl] ethanethioate hydrochloride CAS Name: ethanethioic acid S-[(3Z)-3-(3-furanylmethylidene)-4-piperidinyl] ester hydrochloride IUPAC Name: S-[(3Z)-3-(furan-3-ylmethylidene)piperidin-4-yl] ethanethioate hydrochloride Traditional Name: ethanethioic acid S-[(3Z)-3-(3-furfurylidene)-4-piperidyl] ester hydrochloride Formula: C12H16ClNO2S MolecularWeight: 273.77894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CCNCC1=CC2=COC=C2.Cl

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO2S.ClH/c1-9(14)16-12-2-4-13-7-11(12)6-10-3-5-15-8-10;/h3,5-6,8,12-13H,2,4,7H2,1H3;1H/b11-6-;