2-[(6-azanyl-4-oxidanylidene-1H-quinolin-2-yl)methylsulfanyl]benzoic acid

Systemtic Name: 2-[(6-azanyl-4-oxidanylidene-1H-quinolin-2-yl)methylsulfanyl]benzoic acid Openeye Name: 2-[(6-amino-4-oxo-1H-quinolin-2-yl)methylsulfanyl]benzoic acid CAS Name: 2-[(6-amino-4-oxo-1H-quinolin-2-yl)methylthio]benzoic acid IUPAC Name: 2-[(6-amino-4-oxo-1H-quinolin-2-yl)methylsulfanyl]benzoic acid Traditional Name: 2-[(6-amino-4-keto-1H-quinolin-2-yl)methylthio]benzoic acid Formula: C17H14N2O3S MolecularWeight: 326.36966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCC2=CC(=O)C3=C(N2)C=CC(=C3)N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCC2=CC(=O)C3=C(N2)C=CC(=C3)N

InChI

InChI=1S/C17H14N2O3S/c18-10-5-6-14-13(7-10)15(20)8-11(19-14)9-23-16-4-2-1-3-12(16)17(21)22/h1-8H,9,18H2,(H,19,20)(H,21,22)