S-[(E)-4-formamidobut-3-enyl] benzenecarbothioate hydrochloride

Systemtic Name: S-[(E)-4-formamidobut-3-enyl] benzenecarbothioate hydrochloride Openeye Name: S-[(E)-4-formamidobut-3-enyl] benzenecarbothioate hydrochloride CAS Name: benzenecarbothioic acid S-[(E)-4-formamidobut-3-enyl] ester hydrochloride IUPAC Name: S-[(E)-4-formamidobut-3-enyl] benzenecarbothioate hydrochloride Traditional Name: thiobenzoic acid S-[(E)-4-formamidobut-3-enyl] ester hydrochloride Formula: C12H14ClNO2S MolecularWeight: 271.76306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SCCC=CNC=O.Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SCC/C=C/NC=O.Cl

InChI

InChI=1S/C12H13NO2S.ClH/c14-10-13-8-4-5-9-16-12(15)11-6-2-1-3-7-11;/h1-4,6-8,10H,5,9H2,(H,13,14);1H/b8-4+;