3-[1-[5-(2,6-dimethoxypyridin-3-yl)thiophen-2-yl]sulfonyl-5-methoxy-indol-3-yl]propanoic acid

Systemtic Name: 3-[1-[5-(2,6-dimethoxypyridin-3-yl)thiophen-2-yl]sulfonyl-5-methoxy-indol-3-yl]propanoic acid Openeye Name: 3-[1-[[5-(2,6-dimethoxy-3-pyridyl)-2-thienyl]sulfonyl]-5-methoxy-indol-3-yl]propanoic acid CAS Name: 3-[1-[[5-(2,6-dimethoxy-3-pyridinyl)-2-thiophenyl]sulfonyl]-5-methoxy-3-indolyl]propanoic acid IUPAC Name: 3-[1-[5-(2,6-dimethoxypyridin-3-yl)thiophen-2-yl]sulfonyl-5-methoxyindol-3-yl]propanoic acid Traditional Name: 3-[1-[[5-(2,6-dimethoxy-3-pyridyl)-2-thienyl]sulfonyl]-5-methoxy-indol-3-yl]propionic acid Formula: C23H22N2O7S2 MolecularWeight: 502.55998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C=C2CCC(=O)O)S(=O)(=O)C3=CC=C(S3)C4=C(N=C(C=C4)OC)OC

Isomeric SMILES

COC1=CC2=C(C=C1)N(C=C2CCC(=O)O)S(=O)(=O)C3=CC=C(S3)C4=C(N=C(C=C4)OC)OC

InChI

InChI=1S/C23H22N2O7S2/c1-30-15-5-7-18-17(12-15)14(4-10-21(26)27)13-25(18)34(28,29)22-11-8-19(33-22)16-6-9-20(31-2)24-23(16)32-3/h5-9,11-13H,4,10H2,1-3H3,(H,26,27)