5-[[[2-(2-cyanophenyl)sulfanylphenyl]carbonylamino]methyl]-2-methoxy-benzoic acid

Systemtic Name: 5-[[[2-(2-cyanophenyl)sulfanylphenyl]carbonylamino]methyl]-2-methoxy-benzoic acid Openeye Name: 5-[[[2-(2-cyanophenyl)sulfanylbenzoyl]amino]methyl]-2-methoxy-benzoic acid CAS Name: 5-[[[[2-[(2-cyanophenyl)thio]phenyl]-oxomethyl]amino]methyl]-2-methoxybenzoic acid IUPAC Name: 5-[[[2-(2-cyanophenyl)sulfanylbenzoyl]amino]methyl]-2-methoxybenzoic acid Traditional Name: 5-[[[2-[(2-cyanophenyl)thio]benzoyl]amino]methyl]-2-methoxy-benzoic acid Formula: C23H18N2O4S MolecularWeight: 418.46502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=CC=CC=C2SC3=CC=CC=C3C#N)C(=O)O

InChI

InChI=1S/C23H18N2O4S/c1-29-19-11-10-15(12-18(19)23(27)28)14-25-22(26)17-7-3-5-9-21(17)30-20-8-4-2-6-16(20)13-24/h2-12H,14H2,1H3,(H,25,26)(H,27,28)