(2-chloranylquinolin-3-yl)methyl 4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoate

Systemtic Name: (2-chloranylquinolin-3-yl)methyl 4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoate Openeye Name: (2-chloro-3-quinolyl)methyl 4-(2,5-dimethyl-3-thienyl)-4-oxo-butanoate CAS Name: 4-(2,5-dimethyl-3-thiophenyl)-4-oxobutanoic acid (2-chloro-3-quinolinyl)methyl ester IUPAC Name: (2-chloroquinolin-3-yl)methyl 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate Traditional Name: 4-(2,5-dimethyl-3-thienyl)-4-keto-butyric acid (2-chloro-3-quinolyl)methyl ester Formula: C20H18ClNO3S MolecularWeight: 387.87982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CCC(=O)OCC2=CC3=CC=CC=C3N=C2Cl

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)OCC2=CC3=CC=CC=C3N=C2Cl

InChI

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