(2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-butylquinoline-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-butylquinoline-4-carboxylate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 2-butylquinoline-4-carboxylate CAS Name: 2-butyl-4-quinolinecarboxylic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 2-butylquinoline-4-carboxylate Traditional Name: 2-butylcinchoninic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C20H19NO3S MolecularWeight: 353.43476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)C3=CC=CS3

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2C(=C1)C(=O)OCC(=O)C3=CC=CS3

InChI

InChI=1S/C20H19NO3S/c1-2-3-7-14-12-16(15-8-4-5-9-17(15)21-14)20(23)24-13-18(22)19-10-6-11-25-19/h4-6,8-12H,2-3,7,13H2,1H3