2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-(4-methylsulfonylphenyl)sulfanyl-indol-1-yl]ethanoic acid

Systemtic Name: 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-(4-methylsulfonylphenyl)sulfanyl-indol-1-yl]ethanoic acid Openeye Name: 2-[4-(3,5-dimethylisoxazol-4-yl)-2-methyl-3-(4-methylsulfonylphenyl)sulfanyl-indol-1-yl]acetic acid CAS Name: 2-[4-(3,5-dimethyl-4-isoxazolyl)-2-methyl-3-[(4-methylsulfonylphenyl)thio]-1-indolyl]acetic acid IUPAC Name: 2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-3-(4-methylsulfonylphenyl)sulfanylindol-1-yl]acetic acid Traditional Name: 2-[4-(3,5-dimethylisoxazol-4-yl)-3-[(4-mesylphenyl)thio]-2-methyl-indol-1-yl]acetic acid Formula: C23H22N2O5S2 MolecularWeight: 470.56118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=CC=C2N1CC(=O)O)C3=C(ON=C3C)C)SC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=C(C2=C(C=CC=C2N1CC(=O)O)C3=C(ON=C3C)C)SC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C23H22N2O5S2/c1-13-21(15(3)30-24-13)18-6-5-7-19-22(18)23(14(2)25(19)12-20(26)27)31-16-8-10-17(11-9-16)32(4,28)29/h5-11H,12H2,1-4H3,(H,26,27)