dimethyl 2-[2-(3-cyano-6-methyl-pyridin-2-yl)sulfanylethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-(3-cyano-6-methyl-pyridin-2-yl)sulfanylethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-[(3-cyano-6-methyl-2-pyridyl)sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[(3-cyano-6-methyl-2-pyridinyl)thio]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-(3-cyano-6-methylpyridin-2-yl)sulfanylacetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[(3-cyano-6-methyl-2-pyridyl)thio]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C#N)SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=NC(=C(C=C1)C#N)SCC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C19H17N3O5S/c1-11-4-5-13(9-20)17(21-11)28-10-16(23)22-15-8-12(18(24)26-2)6-7-14(15)19(25)27-3/h4-8H,10H2,1-3H3,(H,22,23)