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

Systemtic Name: (phenylmethyl) 2-[[4-(1,3-benzodioxol-5-yl)-5-cyano-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate Openeye Name: benzyl 2-[[4-(1,3-benzodioxol-5-yl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate CAS Name: 2-[[4-(1,3-benzodioxol-5-yl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[4-(1,3-benzodioxol-5-yl)-5-cyano-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate Traditional Name: 2-[[4-(1,3-benzodioxol-5-yl)-5-cyano-2-keto-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid benzyl ester Formula: C22H18N2O5S MolecularWeight: 422.45372

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=C(NC1=O)SCC(=O)OCC2=CC=CC=C2)C#N)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C(C(=C(NC1=O)SCC(=O)OCC2=CC=CC=C2)C#N)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H18N2O5S/c23-10-17-16(15-6-7-18-19(8-15)29-13-28-18)9-20(25)24-22(17)30-12-21(26)27-11-14-4-2-1-3-5-14/h1-8,16H,9,11-13H2,(H,24,25)