ethyl 4-(3,7-dimethylquinolin-2-yl)sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-(3,7-dimethylquinolin-2-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[(3,7-dimethyl-2-quinolyl)sulfanyl]-3-oxo-butanoate CAS Name: 4-[(3,7-dimethyl-2-quinolinyl)thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(3,7-dimethylquinolin-2-yl)sulfanyl-3-oxobutanoate Traditional Name: 4-[(3,7-dimethyl-2-quinolyl)thio]-3-keto-butyric acid ethyl ester Formula: C17H19NO3S MolecularWeight: 317.40266

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=C(C=C2C=CC(=CC2=N1)C)C

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=C(C=C2C=CC(=CC2=N1)C)C

InChI

InChI=1S/C17H19NO3S/c1-4-21-16(20)9-14(19)10-22-17-12(3)8-13-6-5-11(2)7-15(13)18-17/h5-8H,4,9-10H2,1-3H3