2-[3-[5-butyl-2-(3-methoxyphenyl)sulfonyl-phenyl]-5-phenyl-4-sulfanylidene-pyridin-1-yl]propanoic acid

Systemtic Name: 2-[3-[5-butyl-2-(3-methoxyphenyl)sulfonyl-phenyl]-5-phenyl-4-sulfanylidene-pyridin-1-yl]propanoic acid Openeye Name: 2-[3-[5-butyl-2-(3-methoxyphenyl)sulfonyl-phenyl]-5-phenyl-4-thioxo-1-pyridyl]propanoic acid CAS Name: 2-[3-[5-butyl-2-(3-methoxyphenyl)sulfonylphenyl]-5-phenyl-4-sulfanylidene-1-pyridinyl]propanoic acid IUPAC Name: 2-[3-[5-butyl-2-(3-methoxyphenyl)sulfonylphenyl]-5-phenyl-4-sulfanylidenepyridin-1-yl]propanoic acid Traditional Name: 2-[3-[5-butyl-2-(3-methoxyphenyl)sulfonyl-phenyl]-5-phenyl-4-thioxo-1-pyridyl]propionic acid Formula: C31H31NO5S2 MolecularWeight: 561.71154

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)S(=O)(=O)C2=CC=CC(=C2)OC)C3=CN(C=C(C3=S)C4=CC=CC=C4)C(C)C(=O)O

Isomeric SMILES

CCCCC1=CC(=C(C=C1)S(=O)(=O)C2=CC=CC(=C2)OC)C3=CN(C=C(C3=S)C4=CC=CC=C4)C(C)C(=O)O

InChI

InChI=1S/C31H31NO5S2/c1-4-5-10-22-15-16-29(39(35,36)25-14-9-13-24(18-25)37-3)26(17-22)28-20-32(21(2)31(33)34)19-27(30(28)38)23-11-7-6-8-12-23/h6-9,11-21H,4-5,10H2,1-3H3,(H,33,34)