ethyl 4-(3-ethyl-7-methyl-quinolin-2-yl)sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-(3-ethyl-7-methyl-quinolin-2-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-[(3-ethyl-7-methyl-2-quinolyl)sulfanyl]-3-oxo-butanoate CAS Name: 4-[(3-ethyl-7-methyl-2-quinolinyl)thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(3-ethyl-7-methylquinolin-2-yl)sulfanyl-3-oxobutanoate Traditional Name: 4-[(3-ethyl-7-methyl-2-quinolyl)thio]-3-keto-butyric acid ethyl ester Formula: C18H21NO3S MolecularWeight: 331.42924

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C2C=C(C=CC2=C1)C)SCC(=O)CC(=O)OCC

Isomeric SMILES

CCC1=C(N=C2C=C(C=CC2=C1)C)SCC(=O)CC(=O)OCC

InChI

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