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

Systemtic Name: methyl 4-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C#N)SCC(=O)NC2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

CC1=CC(=NC(=C1C#N)SCC(=O)NC2=CC=C(C=C2)C(=O)OC)C

InChI

InChI=1S/C18H17N3O3S/c1-11-8-12(2)20-17(15(11)9-19)25-10-16(22)21-14-6-4-13(5-7-14)18(23)24-3/h4-8H,10H2,1-3H3,(H,21,22)