methyl 2-[2-(5-chloranyl-3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 2-[2-(5-chloranyl-3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-(5-chloro-3-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(5-chloro-3-cyano-4,6-dimethyl-2-pyridyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C18H16ClN3O3S MolecularWeight: 389.85594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=C1Cl)C)SCC(=O)NC2=CC=CC=C2C(=O)OC)C#N

Isomeric SMILES

CC1=C(C(=NC(=C1Cl)C)SCC(=O)NC2=CC=CC=C2C(=O)OC)C#N

InChI

InChI=1S/C18H16ClN3O3S/c1-10-13(8-20)17(21-11(2)16(10)19)26-9-15(23)22-14-7-5-4-6-12(14)18(24)25-3/h4-7H,9H2,1-3H3,(H,22,23)