methyl 4-methyl-2-[[4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoyl]oxymethyl]quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-[[4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoyl]oxymethyl]quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[[4-(5-methyl-2-thienyl)-4-oxo-butanoyl]oxymethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[[4-(5-methyl-2-thiophenyl)-1,4-dioxobutoxy]methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-[[4-(5-methylthiophen-2-yl)-4-oxobutanoyl]oxymethyl]quinoline-3-carboxylate Traditional Name: 2-[[4-keto-4-(5-methyl-2-thienyl)butanoyl]oxymethyl]-4-methyl-quinoline-3-carboxylic acid methyl ester Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)OCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)OCC2=NC3=CC=CC=C3C(=C2C(=O)OC)C

InChI

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