butyl 2-[[5-cyano-2-oxidanylidene-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate

Systemtic Name: butyl 2-[[5-cyano-2-oxidanylidene-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate Openeye Name: butyl 2-[[5-cyano-4-(4-isopropylphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate CAS Name: 2-[[5-cyano-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid butyl ester IUPAC Name: butyl 2-[[5-cyano-2-oxo-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate Traditional Name: 2-[(5-cyano-2-keto-4-p-cumenyl-3,4-dihydro-1H-pyridin-6-yl)thio]acetic acid butyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(C)C)C#N

Isomeric SMILES

CCCCOC(=O)CSC1=C(C(CC(=O)N1)C2=CC=C(C=C2)C(C)C)C#N

InChI

InChI=1S/C21H26N2O3S/c1-4-5-10-26-20(25)13-27-21-18(12-22)17(11-19(24)23-21)16-8-6-15(7-9-16)14(2)3/h6-9,14,17H,4-5,10-11,13H2,1-3H3,(H,23,24)