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

Systemtic Name: 2-(4-methylsulfonyl-5-phenylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)ethanoic acid Openeye Name: 2-(4-methylsulfonyl-5-phenylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)acetic acid CAS Name: 2-[4-methylsulfonyl-5-(phenylthio)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid IUPAC Name: 2-(4-methylsulfonyl-5-phenylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)acetic acid Traditional Name: 2-[4-mesyl-5-(phenylthio)-6,7,8,9-tetrahydropyrid[3,2-b]indolizin-6-yl]acetic acid Formula: C20H20N2O4S2 MolecularWeight: 416.5138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4S2/c1-28(25,26)15-9-10-21-20-17(15)19(27-14-7-3-2-4-8-14)18-13(12-16(23)24)6-5-11-22(18)20/h2-4,7-10,13H,5-6,11-12H2,1H3,(H,23,24)