2-[4-(furan-3-yl)-2-methyl-3-(4-methylsulfonylphenyl)sulfanyl-indol-1-yl]ethanoic acid

Systemtic Name: 2-[4-(furan-3-yl)-2-methyl-3-(4-methylsulfonylphenyl)sulfanyl-indol-1-yl]ethanoic acid Openeye Name: 2-[4-(3-furyl)-2-methyl-3-(4-methylsulfonylphenyl)sulfanyl-indol-1-yl]acetic acid CAS Name: 2-[4-(3-furanyl)-2-methyl-3-[(4-methylsulfonylphenyl)thio]-1-indolyl]acetic acid IUPAC Name: 2-[4-(furan-3-yl)-2-methyl-3-(4-methylsulfonylphenyl)sulfanylindol-1-yl]acetic acid Traditional Name: 2-[4-(3-furyl)-3-[(4-mesylphenyl)thio]-2-methyl-indol-1-yl]acetic acid Formula: C22H19NO5S2 MolecularWeight: 441.51996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=CC=C2N1CC(=O)O)C3=COC=C3)SC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=C(C2=C(C=CC=C2N1CC(=O)O)C3=COC=C3)SC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C22H19NO5S2/c1-14-22(29-16-6-8-17(9-7-16)30(2,26)27)21-18(15-10-11-28-13-15)4-3-5-19(21)23(14)12-20(24)25/h3-11,13H,12H2,1-2H3,(H,24,25)