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

Systemtic Name: 2-[5-(2,4-dichlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]ethanoic acid Openeye Name: 2-[5-(2,4-dichlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid CAS Name: 2-[5-[(2,4-dichlorophenyl)thio]-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid IUPAC Name: 2-[5-(2,4-dichlorophenyl)sulfanyl-4-methylsulfonyl-6,7,8,9-tetrahydropyrido[3,2-b]indolizin-6-yl]acetic acid Traditional Name: 2-[5-[(2,4-dichlorophenyl)thio]-4-mesyl-6,7,8,9-tetrahydropyrid[3,2-b]indolizin-6-yl]acetic acid Formula: C20H18Cl2N2O4S2 MolecularWeight: 485.40392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18Cl2N2O4S2/c1-30(27,28)15-6-7-23-20-17(15)19(29-14-5-4-12(21)10-13(14)22)18-11(9-16(25)26)3-2-8-24(18)20/h4-7,10-11H,2-3,8-9H2,1H3,(H,25,26)