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

Systemtic Name: ethyl 3-[2-(3-cyano-4,6-dimethyl-pyridin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[(3-cyano-4,6-dimethyl-2-pyridyl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(3-cyano-4,6-dimethylpyridin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(3-cyano-4,6-dimethyl-2-pyridyl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=C(C(=CC(=N2)C)C)C#N

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=C(C(=CC(=N2)C)C)C#N

InChI

InChI=1S/C19H19N3O3S/c1-4-25-19(24)14-6-5-7-15(9-14)22-17(23)11-26-18-16(10-20)12(2)8-13(3)21-18/h5-9H,4,11H2,1-3H3,(H,22,23)