methyl 4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-quinoline-3-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-quinoline-3-carboxylate Openeye Name: methyl 2-benzylsulfanyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 4-oxo-2-(phenylmethylthio)-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-benzylsulfanyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 2-(benzylthio)-4-keto-1H-quinoline-3-carboxylic acid methyl ester Formula: C18H15NO3S MolecularWeight: 325.3816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC2=CC=CC=C2C1=O)SCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(NC2=CC=CC=C2C1=O)SCC3=CC=CC=C3

InChI

InChI=1S/C18H15NO3S/c1-22-18(21)15-16(20)13-9-5-6-10-14(13)19-17(15)23-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,19,20)