ethyl 8-methyl-4-oxidanylidene-2-sulfanyl-1H-quinoline-3-carboxylate

Systemtic Name: ethyl 8-methyl-4-oxidanylidene-2-sulfanyl-1H-quinoline-3-carboxylate Openeye Name: ethyl 8-methyl-4-oxo-2-sulfanyl-1H-quinoline-3-carboxylate CAS Name: 2-mercapto-8-methyl-4-oxo-1H-quinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 8-methyl-4-oxo-2-sulfanyl-1H-quinoline-3-carboxylate Traditional Name: 4-keto-2-mercapto-8-methyl-1H-quinoline-3-carboxylic acid ethyl ester Formula: C13H13NO3S MolecularWeight: 263.31222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC2=C(C1=O)C=CC=C2C)S

Isomeric SMILES

CCOC(=O)C1=C(NC2=C(C1=O)C=CC=C2C)S

InChI

InChI=1S/C13H13NO3S/c1-3-17-13(16)9-11(15)8-6-4-5-7(2)10(8)14-12(9)18/h4-6H,3H2,1-2H3,(H2,14,15,18)