butyl 2-[(3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinolin-2-yl)sulfanyl]ethanoate

Systemtic Name: butyl 2-[(3-cyano-7,7-dimethyl-5-oxidanylidene-6,8-dihydroquinolin-2-yl)sulfanyl]ethanoate Openeye Name: butyl 2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]acetate CAS Name: 2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)thio]acetic acid butyl ester IUPAC Name: butyl 2-[(3-cyano-7,7-dimethyl-5-oxo-6,8-dihydroquinolin-2-yl)sulfanyl]acetate Traditional Name: 2-[(3-cyano-5-keto-7,7-dimethyl-6,8-dihydroquinolin-2-yl)thio]acetic acid butyl ester Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3S/c1-4-5-6-23-16(22)11-24-17-12(10-19)7-13-14(20-17)8-18(2,3)9-15(13)21/h7H,4-6,8-9,11H2,1-3H3