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

Systemtic Name: ethyl 2-[[5-cyano-2-oxidanylidene-4-(3-phenoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[5-cyano-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate CAS Name: 2-[[5-cyano-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-cyano-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate Traditional Name: 2-[[5-cyano-2-keto-4-(3-phenoxyphenyl)-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid ethyl ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C(CC(=O)N1)C2=CC(=CC=C2)OC3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)CSC1=C(C(CC(=O)N1)C2=CC(=CC=C2)OC3=CC=CC=C3)C#N

InChI

InChI=1S/C22H20N2O4S/c1-2-27-21(26)14-29-22-19(13-23)18(12-20(25)24-22)15-7-6-10-17(11-15)28-16-8-4-3-5-9-16/h3-11,18H,2,12,14H2,1H3,(H,24,25)