ethyl 5-cyano-6-[(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[(1R)-2-[(3-cyano-2-thienyl)amino]-1-methyl-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[(2R)-1-[(3-cyano-2-thiophenyl)amino]-1-oxopropan-2-yl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[(2R)-1-[(3-cyanothiophen-2-yl)amino]-1-oxopropan-2-yl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[(1R)-2-[(3-cyano-2-thienyl)amino]-2-keto-1-methyl-ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C18H16N4O3S2 MolecularWeight: 400.47464

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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=C(C=CS2)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)S[C@H](C)C(=O)NC2=C(C=CS2)C#N)C

InChI

InChI=1S/C18H16N4O3S2/c1-4-25-18(24)14-7-13(9-20)17(21-10(14)2)27-11(3)15(23)22-16-12(8-19)5-6-26-16/h5-7,11H,4H2,1-3H3,(H,22,23)/t11-/m1/s1