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

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) quinoline-2-carboxylate Openeye Name: [4-oxo-4-(2-thienyl)butyl] quinoline-2-carboxylate CAS Name: 2-quinolinecarboxylic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) quinoline-2-carboxylate Traditional Name: quinaldic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C18H15NO3S MolecularWeight: 325.3816

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C(=O)OCCCC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)C(=O)OCCCC(=O)C3=CC=CS3

InChI

InChI=1S/C18H15NO3S/c20-16(17-8-4-12-23-17)7-3-11-22-18(21)15-10-9-13-5-1-2-6-14(13)19-15/h1-2,4-6,8-10,12H,3,7,11H2