[(Z)-4-(1,3-benzothiazol-2-ylsulfanyl)but-2-enyl] 2,2-dimethylpropanoate

Systemtic Name: [(Z)-4-(1,3-benzothiazol-2-ylsulfanyl)but-2-enyl] 2,2-dimethylpropanoate Openeye Name: [(Z)-4-(1,3-benzothiazol-2-ylsulfanyl)but-2-enyl] 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(Z)-4-(1,3-benzothiazol-2-ylthio)but-2-enyl] ester IUPAC Name: [(Z)-4-(1,3-benzothiazol-2-ylsulfanyl)but-2-enyl] 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(Z)-4-(1,3-benzothiazol-2-ylthio)but-2-enyl] ester Formula: C16H19NO2S2 MolecularWeight: 321.45756

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCC=CCSC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)(C)C(=O)OC/C=C\CSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C16H19NO2S2/c1-16(2,3)14(18)19-10-6-7-11-20-15-17-12-8-4-5-9-13(12)21-15/h4-9H,10-11H2,1-3H3/b7-6-