ethyl 5-cyano-2-methyl-6-[1-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl]sulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[1-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxidanylidene-propan-2-yl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[1-methyl-2-[[4-(3-nitrophenyl)thiazol-2-yl]amino]-2-oxo-ethyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[1-[[4-(3-nitrophenyl)-2-thiazolyl]amino]-1-oxopropan-2-yl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[1-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-keto-1-methyl-2-[[4-(3-nitrophenyl)thiazol-2-yl]amino]ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C22H19N5O5S2 MolecularWeight: 497.54676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC(C)C(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC(C)C(=O)NC2=NC(=CS2)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H19N5O5S2/c1-4-32-21(29)17-9-15(10-23)20(24-12(17)2)34-13(3)19(28)26-22-25-18(11-33-22)14-6-5-7-16(8-14)27(30)31/h5-9,11,13H,4H2,1-3H3,(H,25,26,28)