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

Systemtic Name: ethyl 6-[(2R)-1-(tert-butylcarbamoylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[(1R)-2-(tert-butylcarbamoylamino)-1-methyl-2-oxo-ethyl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-[[(2R)-1-[[(tert-butylamino)-oxomethyl]amino]-1-oxopropan-2-yl]thio]-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl]sulfanyl-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[[(1R)-2-(tert-butylcarbamoylamino)-2-keto-1-methyl-ethyl]thio]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C18H24N4O4S MolecularWeight: 392.47256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC(C)C(=O)NC(=O)NC(C)(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O4S/c1-7-26-16(24)13-8-12(9-19)15(20-10(13)2)27-11(3)14(23)21-17(25)22-18(4,5)6/h8,11H,7H2,1-6H3,(H2,21,22,23,25)/t11-/m1/s1