4-[(2-oxidanylidene-1H-quinolin-3-yl)sulfanyl]butanoic acid

Systemtic Name: 4-[(2-oxidanylidene-1H-quinolin-3-yl)sulfanyl]butanoic acid Openeye Name: 4-[(2-oxo-1H-quinolin-3-yl)sulfanyl]butanoic acid CAS Name: 4-[(2-oxo-1H-quinolin-3-yl)thio]butanoic acid IUPAC Name: 4-[(2-oxo-1H-quinolin-3-yl)sulfanyl]butanoic acid Traditional Name: 4-[(2-keto-1H-quinolin-3-yl)thio]butyric acid Formula: C13H13NO3S MolecularWeight: 263.31222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=O)N2)SCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=O)N2)SCCCC(=O)O

InChI

InChI=1S/C13H13NO3S/c15-12(16)6-3-7-18-11-8-9-4-1-2-5-10(9)14-13(11)17/h1-2,4-5,8H,3,6-7H2,(H,14,17)(H,15,16)