ethyl 5-cyano-2-methyl-6-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]sulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[2-oxo-2-(2-thienylmethylamino)ethyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-keto-2-(2-thenylamino)ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C17H17N3O3S2 MolecularWeight: 375.46518

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NCC2=CC=CS2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NCC2=CC=CS2)C

InChI

InChI=1S/C17H17N3O3S2/c1-3-23-17(22)14-7-12(8-18)16(20-11(14)2)25-10-15(21)19-9-13-5-4-6-24-13/h4-7H,3,9-10H2,1-2H3,(H,19,21)