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

Systemtic Name: methyl 2-[[5-cyano-4-(4-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-cyano-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate CAS Name: 2-[[5-cyano-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-cyano-4-(4-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate Traditional Name: 2-[[5-cyano-2-keto-4-(4-nitrophenyl)-3,4-dihydro-1H-pyridin-6-yl]thio]acetic acid methyl ester Formula: C15H13N3O5S MolecularWeight: 347.34582

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=C(C(CC(=O)N1)C2=CC=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

COC(=O)CSC1=C(C(CC(=O)N1)C2=CC=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C15H13N3O5S/c1-23-14(20)8-24-15-12(7-16)11(6-13(19)17-15)9-2-4-10(5-3-9)18(21)22/h2-5,11H,6,8H2,1H3,(H,17,19)