methyl 4-[[2-(2-cyanophenyl)sulfanylphenyl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[2-(2-cyanophenyl)sulfanylphenyl]carbonylamino]benzoate Openeye Name: methyl 4-[[2-(2-cyanophenyl)sulfanylbenzoyl]amino]benzoate CAS Name: 4-[[[2-[(2-cyanophenyl)thio]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(2-cyanophenyl)sulfanylbenzoyl]amino]benzoate Traditional Name: 4-[[2-[(2-cyanophenyl)thio]benzoyl]amino]benzoic acid methyl ester Formula: C22H16N2O3S MolecularWeight: 388.43904

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N

InChI

InChI=1S/C22H16N2O3S/c1-27-22(26)15-10-12-17(13-11-15)24-21(25)18-7-3-5-9-20(18)28-19-8-4-2-6-16(19)14-23/h2-13H,1H3,(H,24,25)