methyl 3-[2-[3-[(2-methylsulfanylpyridin-3-yl)carbonylamino]phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-[(2-methylsulfanylpyridin-3-yl)carbonylamino]phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-[(2-methylsulfanylpyridine-3-carbonyl)amino]phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-[[[2-(methylthio)-3-pyridinyl]-oxomethyl]amino]phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-[(2-methylsulfanylpyridine-3-carbonyl)amino]phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-[[2-(methylthio)nicotinoyl]amino]phenyl]ethynyl]benzoic acid methyl ester Formula: C23H18N2O3S MolecularWeight: 402.46562

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=C(N=CC=C3)SC

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NC(=O)C3=C(N=CC=C3)SC

InChI

InChI=1S/C23H18N2O3S/c1-28-23(27)18-8-3-6-16(14-18)11-12-17-7-4-9-19(15-17)25-21(26)20-10-5-13-24-22(20)29-2/h3-10,13-15H,1-2H3,(H,25,26)