(4-oxidanylidene-4-thiophen-2-yl-butyl) 2-ethyl-4-methyl-quinoline-3-carboxylate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 2-ethyl-4-methyl-quinoline-3-carboxylate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 2-ethyl-4-methyl-quinoline-3-carboxylate CAS Name: 2-ethyl-4-methyl-3-quinolinecarboxylic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 2-ethyl-4-methylquinoline-3-carboxylate Traditional Name: 2-ethyl-4-methyl-quinoline-3-carboxylic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C(=O)OCCCC(=O)C3=CC=CS3)C

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C(=O)OCCCC(=O)C3=CC=CS3)C

InChI

InChI=1S/C21H21NO3S/c1-3-16-20(14(2)15-8-4-5-9-17(15)22-16)21(24)25-12-6-10-18(23)19-11-7-13-26-19/h4-5,7-9,11,13H,3,6,10,12H2,1-2H3