8-(2-methoxy-2-oxidanylidene-ethyl)sulfanylquinoline-5-carboxylic acid

Systemtic Name: 8-(2-methoxy-2-oxidanylidene-ethyl)sulfanylquinoline-5-carboxylic acid Openeye Name: 8-(2-methoxy-2-oxo-ethyl)sulfanylquinoline-5-carboxylic acid CAS Name: 8-[(2-methoxy-2-oxoethyl)thio]-5-quinolinecarboxylic acid IUPAC Name: 8-(2-methoxy-2-oxoethyl)sulfanylquinoline-5-carboxylic acid Traditional Name: 8-[(2-keto-2-methoxy-ethyl)thio]quinoline-5-carboxylic acid Formula: C13H11NO4S MolecularWeight: 277.29574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C2C(=C(C=C1)C(=O)O)C=CC=N2

Isomeric SMILES

COC(=O)CSC1=C2C(=C(C=C1)C(=O)O)C=CC=N2

InChI

InChI=1S/C13H11NO4S/c1-18-11(15)7-19-10-5-4-9(13(16)17)8-3-2-6-14-12(8)10/h2-6H,7H2,1H3,(H,16,17)