S-[(E)-4-formamidobut-3-enyl] 2-methylpropanethioate hydrochloride

Systemtic Name: S-[(E)-4-formamidobut-3-enyl] 2-methylpropanethioate hydrochloride Openeye Name: S-[(E)-4-formamidobut-3-enyl] 2-methylpropanethioate hydrochloride CAS Name: 2-methylpropanethioic acid S-[(E)-4-formamidobut-3-enyl] ester hydrochloride IUPAC Name: S-[(E)-4-formamidobut-3-enyl] 2-methylpropanethioate hydrochloride Traditional Name: 2-methylpropanethioic acid S-[(E)-4-formamidobut-3-enyl] ester hydrochloride Formula: C9H16ClNO2S MolecularWeight: 237.74684

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H15NO2S.ClH/c1-8(2)9(12)13-6-4-3-5-10-7-11;/h3,5,7-8H,4,6H2,1-2H3,(H,10,11);1H/b5-3+;