(4-oxidanylidene-4-thiophen-2-yl-butyl) 2-methylquinoline-4-carboxylate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 2-methylquinoline-4-carboxylate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C19H17NO3S MolecularWeight: 339.40818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCCCC(=O)C3=CC=CS3

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)OCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C19H17NO3S/c1-13-12-15(14-6-2-3-7-16(14)20-13)19(22)23-10-4-8-17(21)18-9-5-11-24-18/h2-3,5-7,9,11-12H,4,8,10H2,1H3