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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[2-[[4-(3-nitrophenyl)thiazol-2-yl]amino]-2-oxo-ethyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-[[4-(3-nitrophenyl)-2-thiazolyl]amino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[2-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-keto-2-[[4-(3-nitrophenyl)thiazol-2-yl]amino]ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C21H17N5O5S2 MolecularWeight: 483.52018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17N5O5S2/c1-3-31-20(28)16-8-14(9-22)19(23-12(16)2)32-11-18(27)25-21-24-17(10-33-21)13-5-4-6-15(7-13)26(29)30/h4-8,10H,3,11H2,1-2H3,(H,24,25,27)