ethyl 3-oxidanylidene-4-(3,7,8-trimethylquinolin-2-yl)sulfanyl-butanoate

Systemtic Name: ethyl 3-oxidanylidene-4-(3,7,8-trimethylquinolin-2-yl)sulfanyl-butanoate Openeye Name: ethyl 3-oxo-4-[(3,7,8-trimethyl-2-quinolyl)sulfanyl]butanoate CAS Name: 3-oxo-4-[(3,7,8-trimethyl-2-quinolinyl)thio]butanoic acid ethyl ester IUPAC Name: ethyl 3-oxo-4-(3,7,8-trimethylquinolin-2-yl)sulfanylbutanoate Traditional Name: 3-keto-4-[(3,7,8-trimethyl-2-quinolyl)thio]butyric acid ethyl ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=C(C=C2C=CC(=C(C2=N1)C)C)C

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=C(C=C2C=CC(=C(C2=N1)C)C)C

InChI

InChI=1S/C18H21NO3S/c1-5-22-16(21)9-15(20)10-23-18-12(3)8-14-7-6-11(2)13(4)17(14)19-18/h6-8H,5,9-10H2,1-4H3