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

Systemtic Name: ethyl 2-[[5-cyano-2-oxidanylidene-4-(4-propan-2-ylphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O3S/c1-4-24-18(23)11-25-19-16(10-20)15(9-17(22)21-19)14-7-5-13(6-8-14)12(2)3/h5-8,12,15H,4,9,11H2,1-3H3,(H,21,22)