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

Systemtic Name: (phenylmethyl) 2-[[5-cyano-4-(3-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate Openeye Name: benzyl 2-[[5-cyano-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate CAS Name: 2-[[5-cyano-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[5-cyano-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate Traditional Name: 2-[[5-cyano-2-keto-4-(3-nitrophenyl)-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid benzyl ester Formula: C21H17N3O5S MolecularWeight: 423.44178

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=C(NC1=O)SCC(=O)OCC2=CC=CC=C2)C#N)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1C(C(=C(NC1=O)SCC(=O)OCC2=CC=CC=C2)C#N)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H17N3O5S/c22-11-18-17(15-7-4-8-16(9-15)24(27)28)10-19(25)23-21(18)30-13-20(26)29-12-14-5-2-1-3-6-14/h1-9,17H,10,12-13H2,(H,23,25)