2-[1-(2-methoxycarbonylthiophen-3-yl)sulfonyl-2-methyl-pyrrolo[2,3-b]pyridin-3-yl]ethanoic acid

Systemtic Name: 2-[1-(2-methoxycarbonylthiophen-3-yl)sulfonyl-2-methyl-pyrrolo[2,3-b]pyridin-3-yl]ethanoic acid Openeye Name: 2-[1-[(2-methoxycarbonyl-3-thienyl)sulfonyl]-2-methyl-pyrrolo[2,3-b]pyridin-3-yl]acetic acid CAS Name: 2-[1-[(2-methoxycarbonyl-3-thiophenyl)sulfonyl]-2-methyl-3-pyrrolo[2,3-b]pyridinyl]acetic acid IUPAC Name: 2-[1-(2-methoxycarbonylthiophen-3-yl)sulfonyl-2-methylpyrrolo[2,3-b]pyridin-3-yl]acetic acid Traditional Name: 2-[1-[(2-carbomethoxy-3-thienyl)sulfonyl]-2-methyl-pyrrolo[2,3-b]pyridin-3-yl]acetic acid Formula: C16H14N2O6S2 MolecularWeight: 394.42216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1S(=O)(=O)C3=C(SC=C3)C(=O)OC)N=CC=C2)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1S(=O)(=O)C3=C(SC=C3)C(=O)OC)N=CC=C2)CC(=O)O

InChI

InChI=1S/C16H14N2O6S2/c1-9-11(8-13(19)20)10-4-3-6-17-15(10)18(9)26(22,23)12-5-7-25-14(12)16(21)24-2/h3-7H,8H2,1-2H3,(H,19,20)