ethyl 4-methyl-2-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)oxymethyl]quinoline-3-carboxylate

Systemtic Name: ethyl 4-methyl-2-[(4-oxidanylidene-4-thiophen-2-yl-butanoyl)oxymethyl]quinoline-3-carboxylate Openeye Name: ethyl 4-methyl-2-[[4-oxo-4-(2-thienyl)butanoyl]oxymethyl]quinoline-3-carboxylate CAS Name: 2-[(1,4-dioxo-4-thiophen-2-ylbutoxy)methyl]-4-methyl-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[(4-oxo-4-thiophen-2-ylbutanoyl)oxymethyl]quinoline-3-carboxylate Traditional Name: 2-[[4-keto-4-(2-thienyl)butanoyl]oxymethyl]-4-methyl-quinoline-3-carboxylic acid ethyl ester Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)CCC(=O)C3=CC=CS3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2N=C1COC(=O)CCC(=O)C3=CC=CS3)C

InChI

InChI=1S/C22H21NO5S/c1-3-27-22(26)21-14(2)15-7-4-5-8-16(15)23-17(21)13-28-20(25)11-10-18(24)19-9-6-12-29-19/h4-9,12H,3,10-11,13H2,1-2H3