4-[(5-butyl-1,3-benzothiazol-2-yl)sulfanyloxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(5-butyl-1,3-benzothiazol-2-yl)sulfanyloxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(5-butyl-1,3-benzothiazol-2-yl)sulfanyloxy]-4-oxo-butanoic acid CAS Name: 4-[(5-butyl-1,3-benzothiazol-2-yl)thio]oxy-4-oxobutanoic acid IUPAC Name: 4-[(5-butyl-1,3-benzothiazol-2-yl)sulfanyloxy]-4-oxobutanoic acid Traditional Name: 4-[(5-butyl-1,3-benzothiazol-2-yl)thio]oxy-4-keto-butyric acid Formula: C15H17NO4S2 MolecularWeight: 339.42978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)SC(=N2)SOC(=O)CCC(=O)O

Isomeric SMILES

CCCCC1=CC2=C(C=C1)SC(=N2)SOC(=O)CCC(=O)O

InChI

InChI=1S/C15H17NO4S2/c1-2-3-4-10-5-6-12-11(9-10)16-15(21-12)22-20-14(19)8-7-13(17)18/h5-6,9H,2-4,7-8H2,1H3,(H,17,18)