ethyl 4-(3-cyano-6-methyl-quinolin-2-yl)sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-(3-cyano-6-methyl-quinolin-2-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[(3-cyano-6-methyl-2-quinolyl)sulfanyl]-3-oxo-butanoate CAS Name: 4-[(3-cyano-6-methyl-2-quinolinyl)thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(3-cyano-6-methylquinolin-2-yl)sulfanyl-3-oxobutanoate Traditional Name: 4-[(3-cyano-6-methyl-2-quinolyl)thio]-3-keto-butyric acid ethyl ester Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NC2=C(C=C(C=C2)C)C=C1C#N

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NC2=C(C=C(C=C2)C)C=C1C#N

InChI

InChI=1S/C17H16N2O3S/c1-3-22-16(21)8-14(20)10-23-17-13(9-18)7-12-6-11(2)4-5-15(12)19-17/h4-7H,3,8,10H2,1-2H3