2-[[4-[2-(3-cyano-6-phenyl-pyridin-2-yl)sulfanylethanoylamino]phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[4-[2-(3-cyano-6-phenyl-pyridin-2-yl)sulfanylethanoylamino]phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-[[2-[(3-cyano-6-phenyl-2-pyridyl)sulfanyl]acetyl]amino]benzoyl]amino]acetic acid CAS Name: 2-[[[4-[[2-[(3-cyano-6-phenyl-2-pyridinyl)thio]-1-oxoethyl]amino]phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-[[2-(3-cyano-6-phenylpyridin-2-yl)sulfanylacetyl]amino]benzoyl]amino]acetic acid Traditional Name: 2-[[4-[[2-[(3-cyano-6-phenyl-2-pyridyl)thio]acetyl]amino]benzoyl]amino]acetic acid Formula: C23H18N4O4S MolecularWeight: 446.47842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)NC3=CC=C(C=C3)C(=O)NCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)NC3=CC=C(C=C3)C(=O)NCC(=O)O

InChI

InChI=1S/C23H18N4O4S/c24-12-17-8-11-19(15-4-2-1-3-5-15)27-23(17)32-14-20(28)26-18-9-6-16(7-10-18)22(31)25-13-21(29)30/h1-11H,13-14H2,(H,25,31)(H,26,28)(H,29,30)