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

Systemtic Name: methyl 2-[3-(3-cyano-6-phenyl-pyridin-2-yl)sulfanylpropanoylamino]benzoate Openeye Name: methyl 2-[3-[(3-cyano-6-phenyl-2-pyridyl)sulfanyl]propanoylamino]benzoate CAS Name: 2-[[3-[(3-cyano-6-phenyl-2-pyridinyl)thio]-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[3-(3-cyano-6-phenylpyridin-2-yl)sulfanylpropanoylamino]benzoate Traditional Name: 2-[3-[(3-cyano-6-phenyl-2-pyridyl)thio]propanoylamino]benzoic acid methyl ester Formula: C23H19N3O3S MolecularWeight: 417.48026

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CCSC2=C(C=CC(=N2)C3=CC=CC=C3)C#N

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CCSC2=C(C=CC(=N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C23H19N3O3S/c1-29-23(28)18-9-5-6-10-20(18)25-21(27)13-14-30-22-17(15-24)11-12-19(26-22)16-7-3-2-4-8-16/h2-12H,13-14H2,1H3,(H,25,27)