2-[6-cyano-2-methyl-3-[(3-pyridin-2-ylsulfonylthiophen-2-yl)methyl]indolizin-1-yl]ethanoic acid

Systemtic Name: 2-[6-cyano-2-methyl-3-[(3-pyridin-2-ylsulfonylthiophen-2-yl)methyl]indolizin-1-yl]ethanoic acid Openeye Name: 2-[6-cyano-2-methyl-3-[[3-(2-pyridylsulfonyl)-2-thienyl]methyl]indolizin-1-yl]acetic acid CAS Name: 2-[6-cyano-2-methyl-3-[[3-(2-pyridinylsulfonyl)-2-thiophenyl]methyl]-1-indolizinyl]acetic acid IUPAC Name: 2-[6-cyano-2-methyl-3-[(3-pyridin-2-ylsulfonylthiophen-2-yl)methyl]indolizin-1-yl]acetic acid Traditional Name: 2-[6-cyano-2-methyl-3-[[3-(2-pyridylsulfonyl)-2-thienyl]methyl]indolizin-1-yl]acetic acid Formula: C22H17N3O4S2 MolecularWeight: 451.51808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C=C(C=CC2=C1CC(=O)O)C#N)CC3=C(C=CS3)S(=O)(=O)C4=CC=CC=N4

Isomeric SMILES

CC1=C(N2C=C(C=CC2=C1CC(=O)O)C#N)CC3=C(C=CS3)S(=O)(=O)C4=CC=CC=N4

InChI

InChI=1S/C22H17N3O4S2/c1-14-16(10-22(26)27)17-6-5-15(12-23)13-25(17)18(14)11-19-20(7-9-30-19)31(28,29)21-4-2-3-8-24-21/h2-9,13H,10-11H2,1H3,(H,26,27)