methyl 3-[2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 3-[2-(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=N1)SCC(=O)NC2=CC=CC(=C2)C(=O)OC)C#N)C(=O)C

Isomeric SMILES

CC1=C(C=C(C(=N1)SCC(=O)NC2=CC=CC(=C2)C(=O)OC)C#N)C(=O)C

InChI

InChI=1S/C19H17N3O4S/c1-11-16(12(2)23)8-14(9-20)18(21-11)27-10-17(24)22-15-6-4-5-13(7-15)19(25)26-3/h4-8H,10H2,1-3H3,(H,22,24)