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

Systemtic Name: 2-(4-methylsulfonyl-5-pyridazin-3-ylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)ethanoic acid Openeye Name: 2-(4-methylsulfonyl-5-pyridazin-3-ylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)acetic acid CAS Name: 2-[4-methylsulfonyl-5-(3-pyridazinylthio)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid IUPAC Name: 2-(4-methylsulfonyl-5-pyridazin-3-ylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)acetic acid Traditional Name: 2-[4-mesyl-5-(pyridazin-3-ylthio)-6,7,8,9-tetrahydropyrid[3,2-b]indolizin-6-yl]acetic acid Formula: C18H18N4O4S2 MolecularWeight: 418.48992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O4S2/c1-28(25,26)12-6-8-19-18-15(12)17(27-13-5-2-7-20-21-13)16-11(10-14(23)24)4-3-9-22(16)18/h2,5-8,11H,3-4,9-10H2,1H3,(H,23,24)