(2-chloranyl-7-methoxy-quinolin-3-yl)methyl 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: (2-chloranyl-7-methoxy-quinolin-3-yl)methyl 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: (2-chloro-7-methoxy-3-quinolyl)methyl 4-(5-methyl-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-methyl-2-thiophenyl)-4-oxobutanoic acid (2-chloro-7-methoxy-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7-methoxyquinolin-3-yl)methyl 4-(5-methylthiophen-2-yl)-4-oxobutanoate Traditional Name: 4-keto-4-(5-methyl-2-thienyl)butyric acid (2-chloro-7-methoxy-3-quinolyl)methyl ester Formula: C20H18ClNO4S MolecularWeight: 403.87922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)OCC2=C(N=C3C=C(C=CC3=C2)OC)Cl

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)OCC2=C(N=C3C=C(C=CC3=C2)OC)Cl

InChI

InChI=1S/C20H18ClNO4S/c1-12-3-7-18(27-12)17(23)6-8-19(24)26-11-14-9-13-4-5-15(25-2)10-16(13)22-20(14)21/h3-5,7,9-10H,6,8,11H2,1-2H3