2-[4-[[2-(3-cyano-5-methyl-6-phenyl-pyridin-2-yl)sulfanyl-2-phenyl-ethanoyl]amino]phenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[4-[[2-(3-cyano-5-methyl-6-phenyl-pyridin-2-yl)sulfanyl-2-phenyl-ethanoyl]amino]phenyl]quinoline-4-carboxylic acid Openeye Name: 2-[4-[[2-[(3-cyano-5-methyl-6-phenyl-2-pyridyl)sulfanyl]-2-phenyl-acetyl]amino]phenyl]quinoline-4-carboxylic acid CAS Name: 2-[4-[[2-[(3-cyano-5-methyl-6-phenyl-2-pyridinyl)thio]-1-oxo-2-phenylethyl]amino]phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-[[2-(3-cyano-5-methyl-6-phenylpyridin-2-yl)sulfanyl-2-phenylacetyl]amino]phenyl]quinoline-4-carboxylic acid Traditional Name: 2-[4-[[2-[(3-cyano-5-methyl-6-phenyl-2-pyridyl)thio]-2-phenyl-acetyl]amino]phenyl]cinchoninic acid Formula: C37H26N4O3S MolecularWeight: 606.69234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1)C#N)SC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5C(=C4)C(=O)O)C6=CC=CC=C6

Isomeric SMILES

CC1=C(N=C(C(=C1)C#N)SC(C2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5C(=C4)C(=O)O)C6=CC=CC=C6

InChI

InChI=1S/C37H26N4O3S/c1-23-20-27(22-38)36(41-33(23)25-10-4-2-5-11-25)45-34(26-12-6-3-7-13-26)35(42)39-28-18-16-24(17-19-28)32-21-30(37(43)44)29-14-8-9-15-31(29)40-32/h2-21,34H,1H3,(H,39,42)(H,43,44)