ethyl 2-[[3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxidanylidene-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]acetate CAS Name: 2-[[3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[3-cyano-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinolin-2-yl]sulfanyl]acetate Traditional Name: 2-[[3-cyano-4-(4-fluorophenyl)-5-keto-7,7-dimethyl-1,4,6,8-tetrahydroquinolin-2-yl]thio]acetic acid ethyl ester Formula: C22H23FN2O3S MolecularWeight: 414.493023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)F)C#N

Isomeric SMILES

CCOC(=O)CSC1=C(C(C2=C(N1)CC(CC2=O)(C)C)C3=CC=C(C=C3)F)C#N

InChI

InChI=1S/C22H23FN2O3S/c1-4-28-18(27)12-29-21-15(11-24)19(13-5-7-14(23)8-6-13)20-16(25-21)9-22(2,3)10-17(20)26/h5-8,19,25H,4,9-10,12H2,1-3H3