ethyl 4-(1,3-benzothiazol-2-ylsulfanyl)-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-(1,3-benzothiazol-2-ylsulfanyl)-3-oxidanylidene-butanoate Openeye Name: ethyl 4-(1,3-benzothiazol-2-ylsulfanyl)-3-oxo-butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzothiazol-2-ylsulfanyl)-3-oxobutanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-3-keto-butyric acid ethyl ester Formula: C13H13NO3S2 MolecularWeight: 295.37722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C13H13NO3S2/c1-2-17-12(16)7-9(15)8-18-13-14-10-5-3-4-6-11(10)19-13/h3-6H,2,7-8H2,1H3