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

Systemtic Name: ethyl 4-[3-(3-cyano-6-methyl-pyridin-2-yl)sulfanylpropanoylamino]benzoate Openeye Name: ethyl 4-[3-[(3-cyano-6-methyl-2-pyridyl)sulfanyl]propanoylamino]benzoate CAS Name: 4-[[3-[(3-cyano-6-methyl-2-pyridinyl)thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(3-cyano-6-methylpyridin-2-yl)sulfanylpropanoylamino]benzoate Traditional Name: 4-[3-[(3-cyano-6-methyl-2-pyridyl)thio]propanoylamino]benzoic acid ethyl ester Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=C(C=CC(=N2)C)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=C(C=CC(=N2)C)C#N

InChI

InChI=1S/C19H19N3O3S/c1-3-25-19(24)14-6-8-16(9-7-14)22-17(23)10-11-26-18-15(12-20)5-4-13(2)21-18/h4-9H,3,10-11H2,1-2H3,(H,22,23)