(2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: (2-chloranyl-7,8-dimethyl-quinolin-3-yl)methyl 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: (2-chloro-7,8-dimethyl-3-quinolyl)methyl 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid (2-chloro-7,8-dimethyl-3-quinolinyl)methyl ester IUPAC Name: (2-chloro-7,8-dimethylquinolin-3-yl)methyl 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid (2-chloro-7,8-dimethyl-3-quinolyl)methyl ester Formula: C20H18ClNO3S MolecularWeight: 387.87982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=NC(=C(C=C2C=C1)COC(=O)CCC(=O)C3=CC=CS3)Cl)C

Isomeric SMILES

CC1=C(C2=NC(=C(C=C2C=C1)COC(=O)CCC(=O)C3=CC=CS3)Cl)C

InChI

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