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

Systemtic Name: 3-[5-ethoxy-1-[5-(4-phenylmethoxyphenyl)thiophen-2-yl]sulfonyl-indol-3-yl]propanoic acid Openeye Name: 3-[1-[[5-(4-benzyloxyphenyl)-2-thienyl]sulfonyl]-5-ethoxy-indol-3-yl]propanoic acid CAS Name: 3-[5-ethoxy-1-[[5-(4-phenylmethoxyphenyl)-2-thiophenyl]sulfonyl]-3-indolyl]propanoic acid IUPAC Name: 3-[5-ethoxy-1-[5-(4-phenylmethoxyphenyl)thiophen-2-yl]sulfonylindol-3-yl]propanoic acid Traditional Name: 3-[1-[[5-(4-benzoxyphenyl)-2-thienyl]sulfonyl]-5-ethoxy-indol-3-yl]propionic acid Formula: C30H27NO6S2 MolecularWeight: 561.66848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C=C2CCC(=O)O)S(=O)(=O)C3=CC=C(S3)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C=C2CCC(=O)O)S(=O)(=O)C3=CC=C(S3)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C30H27NO6S2/c1-2-36-25-13-14-27-26(18-25)23(10-16-29(32)33)19-31(27)39(34,35)30-17-15-28(38-30)22-8-11-24(12-9-22)37-20-21-6-4-3-5-7-21/h3-9,11-15,17-19H,2,10,16,20H2,1H3,(H,32,33)