ethyl 2-[(3-cyano-4-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinolin-2-yl)sulfanyl]ethanoate

Systemtic Name: ethyl 2-[(3-cyano-4-methyl-5-oxidanylidene-4,4a,6,7-tetrahydro-1H-quinolin-2-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(3-cyano-4-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinolin-2-yl)sulfanyl]acetate CAS Name: 2-[(3-cyano-4-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinolin-2-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3-cyano-4-methyl-5-oxo-4,4a,6,7-tetrahydro-1H-quinolin-2-yl)sulfanyl]acetate Traditional Name: 2-[(3-cyano-5-keto-4-methyl-4,4a,6,7-tetrahydro-1H-quinolin-2-yl)thio]acetic acid ethyl ester Formula: C15H18N2O3S MolecularWeight: 306.38002

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C(C2C(=O)CCC=C2N1)C)C#N

Isomeric SMILES

CCOC(=O)CSC1=C(C(C2C(=O)CCC=C2N1)C)C#N

InChI

InChI=1S/C15H18N2O3S/c1-3-20-13(19)8-21-15-10(7-16)9(2)14-11(17-15)5-4-6-12(14)18/h5,9,14,17H,3-4,6,8H2,1-2H3