2-(4-methylsulfonyl-5-pyridin-3-ylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)ethanoic acid

Systemtic Name: 2-(4-methylsulfonyl-5-pyridin-3-ylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)ethanoic acid Openeye Name: 2-[4-methylsulfonyl-5-(3-pyridylsulfanyl)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid CAS Name: 2-[4-methylsulfonyl-5-(3-pyridinylthio)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid IUPAC Name: 2-(4-methylsulfonyl-5-pyridin-3-ylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)acetic acid Traditional Name: 2-[4-mesyl-5-(3-pyridylthio)-6,7,8,9-tetrahydropyrid[3,2-b]indolizin-6-yl]acetic acid Formula: C19H19N3O4S2 MolecularWeight: 417.50186

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C2C(=C3C(CCCN3C2=NC=C1)CC(=O)O)SC4=CN=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=C2C(=C3C(CCCN3C2=NC=C1)CC(=O)O)SC4=CN=CC=C4

InChI

InChI=1S/C19H19N3O4S2/c1-28(25,26)14-6-8-21-19-16(14)18(27-13-5-2-7-20-11-13)17-12(10-15(23)24)4-3-9-22(17)19/h2,5-8,11-12H,3-4,9-10H2,1H3,(H,23,24)