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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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