3-[5-ethoxy-1-[5-methyl-3-(4-methylphenyl)thiophen-2-yl]sulfonyl-indol-3-yl]propanoic acid

Systemtic Name: 3-[5-ethoxy-1-[5-methyl-3-(4-methylphenyl)thiophen-2-yl]sulfonyl-indol-3-yl]propanoic acid Openeye Name: 3-[5-ethoxy-1-[[5-methyl-3-(p-tolyl)-2-thienyl]sulfonyl]indol-3-yl]propanoic acid CAS Name: 3-[5-ethoxy-1-[[5-methyl-3-(4-methylphenyl)-2-thiophenyl]sulfonyl]-3-indolyl]propanoic acid IUPAC Name: 3-[5-ethoxy-1-[5-methyl-3-(4-methylphenyl)thiophen-2-yl]sulfonylindol-3-yl]propanoic acid Traditional Name: 3-[5-ethoxy-1-[[5-methyl-3-(p-tolyl)-2-thienyl]sulfonyl]indol-3-yl]propionic acid Formula: C25H25NO5S2 MolecularWeight: 483.5997

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C=C2CCC(=O)O)S(=O)(=O)C3=C(C=C(S3)C)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C=C2CCC(=O)O)S(=O)(=O)C3=C(C=C(S3)C)C4=CC=C(C=C4)C

InChI

InChI=1S/C25H25NO5S2/c1-4-31-20-10-11-23-21(14-20)19(9-12-24(27)28)15-26(23)33(29,30)25-22(13-17(3)32-25)18-7-5-16(2)6-8-18/h5-8,10-11,13-15H,4,9,12H2,1-3H3,(H,27,28)