4-[2-[3-cyano-4-(4-methoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanylethanoylamino]benzoic acid

Systemtic Name: 4-[2-[3-cyano-4-(4-methoxyphenyl)-6-phenyl-pyridin-2-yl]sulfanylethanoylamino]benzoic acid Openeye Name: 4-[[2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]sulfanyl]acetyl]amino]benzoic acid CAS Name: 4-[[2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridinyl]thio]-1-oxoethyl]amino]benzoic acid IUPAC Name: 4-[[2-[3-cyano-4-(4-methoxyphenyl)-6-phenylpyridin-2-yl]sulfanylacetyl]amino]benzoic acid Traditional Name: 4-[[2-[[3-cyano-4-(4-methoxyphenyl)-6-phenyl-2-pyridyl]thio]acetyl]amino]benzoic acid Formula: C28H21N3O4S MolecularWeight: 495.54904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)C(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C28H21N3O4S/c1-35-22-13-9-18(10-14-22)23-15-25(19-5-3-2-4-6-19)31-27(24(23)16-29)36-17-26(32)30-21-11-7-20(8-12-21)28(33)34/h2-15H,17H2,1H3,(H,30,32)(H,33,34)