methyl 4-methyl-2-(4-thiophen-2-ylbutanoyloxymethyl)quinoline-3-carboxylate

Systemtic Name: methyl 4-methyl-2-(4-thiophen-2-ylbutanoyloxymethyl)quinoline-3-carboxylate Openeye Name: methyl 4-methyl-2-[4-(2-thienyl)butanoyloxymethyl]quinoline-3-carboxylate CAS Name: 4-methyl-2-[(1-oxo-4-thiophen-2-ylbutoxy)methyl]-3-quinolinecarboxylic acid methyl ester IUPAC Name: methyl 4-methyl-2-(4-thiophen-2-ylbutanoyloxymethyl)quinoline-3-carboxylate Traditional Name: 4-methyl-2-[4-(2-thienyl)butanoyloxymethyl]quinoline-3-carboxylic acid methyl ester Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC2=CC=CC=C12)COC(=O)CCCC3=CC=CS3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC2=CC=CC=C12)COC(=O)CCCC3=CC=CS3)C(=O)OC

InChI

InChI=1S/C21H21NO4S/c1-14-16-9-3-4-10-17(16)22-18(20(14)21(24)25-2)13-26-19(23)11-5-7-15-8-6-12-27-15/h3-4,6,8-10,12H,5,7,11,13H2,1-2H3