4-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-4-oxo-butanoic acid CAS Name: 4-[[2-(methylthio)-1,3-benzothiazol-6-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[[2-(methylthio)-1,3-benzothiazol-6-yl]amino]butyric acid Formula: C12H12N2O3S2 MolecularWeight: 296.36528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC(=O)O

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CCC(=O)O

InChI

InChI=1S/C12H12N2O3S2/c1-18-12-14-8-3-2-7(6-9(8)19-12)13-10(15)4-5-11(16)17/h2-3,6H,4-5H2,1H3,(H,13,15)(H,16,17)