(3-chloranyl-4-methyl-quinolin-2-yl)methyl 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: (3-chloranyl-4-methyl-quinolin-2-yl)methyl 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: (3-chloro-4-methyl-2-quinolyl)methyl 4-(5-methyl-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-methyl-2-thiophenyl)-4-oxobutanoic acid (3-chloro-4-methyl-2-quinolinyl)methyl ester IUPAC Name: (3-chloro-4-methylquinolin-2-yl)methyl 4-(5-methylthiophen-2-yl)-4-oxobutanoate Traditional Name: 4-keto-4-(5-methyl-2-thienyl)butyric acid (3-chloro-4-methyl-2-quinolyl)methyl ester Formula: C20H18ClNO3S MolecularWeight: 387.87982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)OCC2=NC3=CC=CC=C3C(=C2Cl)C

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)OCC2=NC3=CC=CC=C3C(=C2Cl)C

InChI

InChI=1S/C20H18ClNO3S/c1-12-7-9-18(26-12)17(23)8-10-19(24)25-11-16-20(21)13(2)14-5-3-4-6-15(14)22-16/h3-7,9H,8,10-11H2,1-2H3