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

Systemtic Name: methyl 4-[2-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[[3-cyano-6-(p-tolyl)-2-pyridyl]sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[[3-cyano-6-(4-methylphenyl)-2-pyridinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-cyano-6-(4-methylphenyl)pyridin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-cyano-6-(p-tolyl)-2-pyridyl]thio]acetyl]amino]benzoic acid methyl ester Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H19N3O3S/c1-15-3-5-16(6-4-15)20-12-9-18(13-24)22(26-20)30-14-21(27)25-19-10-7-17(8-11-19)23(28)29-2/h3-12H,14H2,1-2H3,(H,25,27)