methyl 4-[(3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridin-4-yl)carbonylamino]benzoate

Systemtic Name: methyl 4-[(3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridin-4-yl)carbonylamino]benzoate Openeye Name: methyl 4-[(3-cyano-6-cyclopropyl-2-methylsulfanyl-pyridine-4-carbonyl)amino]benzoate CAS Name: 4-[[[3-cyano-6-cyclopropyl-2-(methylthio)-4-pyridinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-cyano-6-cyclopropyl-2-methylsulfanylpyridine-4-carbonyl)amino]benzoate Traditional Name: 4-[[3-cyano-6-cyclopropyl-2-(methylthio)isonicotinoyl]amino]benzoic acid methyl ester Formula: C19H17N3O3S MolecularWeight: 367.42158

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=NC(=C2C#N)SC)C3CC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=NC(=C2C#N)SC)C3CC3

InChI

InChI=1S/C19H17N3O3S/c1-25-19(24)12-5-7-13(8-6-12)21-17(23)14-9-16(11-3-4-11)22-18(26-2)15(14)10-20/h5-9,11H,3-4H2,1-2H3,(H,21,23)