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

Systemtic Name: methyl 2-[3-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanylpropanoylamino]benzoate Openeye Name: methyl 2-[3-[[3-cyano-6-(p-tolyl)-2-pyridyl]sulfanyl]propanoylamino]benzoate CAS Name: 2-[[3-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[3-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanylpropanoylamino]benzoate Traditional Name: 2-[3-[[3-cyano-6-(p-tolyl)-2-pyridyl]thio]propanoylamino]benzoic acid methyl ester Formula: C24H21N3O3S MolecularWeight: 431.50684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCCC(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCCC(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C24H21N3O3S/c1-16-7-9-17(10-8-16)20-12-11-18(15-25)23(27-20)31-14-13-22(28)26-21-6-4-3-5-19(21)24(29)30-2/h3-12H,13-14H2,1-2H3,(H,26,28)