(phenylmethyl) 2-[[3,5-dicyano-4-(2-ethoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate

Systemtic Name: (phenylmethyl) 2-[[3,5-dicyano-4-(2-ethoxyphenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate Openeye Name: benzyl 2-[[3,5-dicyano-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate CAS Name: 2-[[3,5-dicyano-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[3,5-dicyano-4-(2-ethoxyphenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate Traditional Name: 2-[(3,5-dicyano-2-keto-4-o-phenetyl-3,4-dihydro-1H-pyridin-6-yl)thio]acetic acid benzyl ester Formula: C24H21N3O4S MolecularWeight: 447.50624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC(=O)OCC3=CC=CC=C3)C#N

Isomeric SMILES

CCOC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC(=O)OCC3=CC=CC=C3)C#N

InChI

InChI=1S/C24H21N3O4S/c1-2-30-20-11-7-6-10-17(20)22-18(12-25)23(29)27-24(19(22)13-26)32-15-21(28)31-14-16-8-4-3-5-9-16/h3-11,18,22H,2,14-15H2,1H3,(H,27,29)