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

Systemtic Name: butyl 2-[[5-cyano-4-(3-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]ethanoate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5S/c1-2-3-7-26-17(23)11-27-18-15(10-19)14(9-16(22)20-18)12-5-4-6-13(8-12)21(24)25/h4-6,8,14H,2-3,7,9,11H2,1H3,(H,20,22)