3-[5-ethoxy-1-[5-(6-methoxypyridin-3-yl)thiophen-2-yl]sulfonyl-indol-3-yl]propanoic acid

Systemtic Name: 3-[5-ethoxy-1-[5-(6-methoxypyridin-3-yl)thiophen-2-yl]sulfonyl-indol-3-yl]propanoic acid Openeye Name: 3-[5-ethoxy-1-[[5-(6-methoxy-3-pyridyl)-2-thienyl]sulfonyl]indol-3-yl]propanoic acid CAS Name: 3-[5-ethoxy-1-[[5-(6-methoxy-3-pyridinyl)-2-thiophenyl]sulfonyl]-3-indolyl]propanoic acid IUPAC Name: 3-[5-ethoxy-1-[5-(6-methoxypyridin-3-yl)thiophen-2-yl]sulfonylindol-3-yl]propanoic acid Traditional Name: 3-[5-ethoxy-1-[[5-(6-methoxy-3-pyridyl)-2-thienyl]sulfonyl]indol-3-yl]propionic acid Formula: C23H22N2O6S2 MolecularWeight: 486.56058

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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=CN=C(C=C4)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O6S2/c1-3-31-17-6-7-19-18(12-17)16(5-10-22(26)27)14-25(19)33(28,29)23-11-8-20(32-23)15-4-9-21(30-2)24-13-15/h4,6-9,11-14H,3,5,10H2,1-2H3,(H,26,27)