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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[(2R)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[(1R)-2-(isobutylamino)-1-methyl-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[(2R)-1-(2-methylpropylamino)-1-oxopropan-2-yl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[(1R)-2-(isobutylamino)-2-keto-1-methyl-ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C17H23N3O3S MolecularWeight: 349.44782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O3S/c1-6-23-17(22)14-7-13(8-18)16(20-11(14)4)24-12(5)15(21)19-9-10(2)3/h7,10,12H,6,9H2,1-5H3,(H,19,21)/t12-/m1/s1