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

Systemtic Name: 2-(4-methylsulfonyl-5-naphthalen-2-ylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)ethanoic acid Openeye Name: 2-[4-methylsulfonyl-5-(2-naphthylsulfanyl)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid CAS Name: 2-[4-methylsulfonyl-5-(2-naphthalenylthio)-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid IUPAC Name: 2-(4-methylsulfonyl-5-naphthalen-2-ylsulfanyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl)acetic acid Traditional Name: 2-[4-mesyl-5-(2-naphthylthio)-6,7,8,9-tetrahydropyrid[3,2-b]indolizin-6-yl]acetic acid Formula: C24H22N2O4S2 MolecularWeight: 466.57248

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C2C(=C3C(CCCN3C2=NC=C1)CC(=O)O)SC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

CS(=O)(=O)C1=C2C(=C3C(CCCN3C2=NC=C1)CC(=O)O)SC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C24H22N2O4S2/c1-32(29,30)19-10-11-25-24-21(19)23(22-17(14-20(27)28)7-4-12-26(22)24)31-18-9-8-15-5-2-3-6-16(15)13-18/h2-3,5-6,8-11,13,17H,4,7,12,14H2,1H3,(H,27,28)