[2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl] 2-ethyl-4-methyl-quinoline-3-carboxylate

Systemtic Name: [2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethyl] 2-ethyl-4-methyl-quinoline-3-carboxylate Openeye Name: [2-(2,5-dimethyl-3-thienyl)-2-oxo-ethyl] 2-ethyl-4-methyl-quinoline-3-carboxylate CAS Name: 2-ethyl-4-methyl-3-quinolinecarboxylic acid [2-(2,5-dimethyl-3-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate Traditional Name: 2-ethyl-4-methyl-quinoline-3-carboxylic acid [2-(2,5-dimethyl-3-thienyl)-2-keto-ethyl] ester Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C(=O)OCC(=O)C3=C(SC(=C3)C)C)C

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C(=O)OCC(=O)C3=C(SC(=C3)C)C)C

InChI

InChI=1S/C21H21NO3S/c1-5-17-20(13(3)15-8-6-7-9-18(15)22-17)21(24)25-11-19(23)16-10-12(2)26-14(16)4/h6-10H,5,11H2,1-4H3