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

Systemtic Name: 2-[2-methyl-3-(4-methylsulfonylphenyl)sulfanyl-4-thiophen-2-yl-indol-1-yl]ethanoic acid Openeye Name: 2-[2-methyl-3-(4-methylsulfonylphenyl)sulfanyl-4-(2-thienyl)indol-1-yl]acetic acid CAS Name: 2-[2-methyl-3-[(4-methylsulfonylphenyl)thio]-4-thiophen-2-yl-1-indolyl]acetic acid IUPAC Name: 2-[2-methyl-3-(4-methylsulfonylphenyl)sulfanyl-4-thiophen-2-ylindol-1-yl]acetic acid Traditional Name: 2-[3-[(4-mesylphenyl)thio]-2-methyl-4-(2-thienyl)indol-1-yl]acetic acid Formula: C22H19NO4S3 MolecularWeight: 457.58556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=CC=C2N1CC(=O)O)C3=CC=CS3)SC4=CC=C(C=C4)S(=O)(=O)C

Isomeric SMILES

CC1=C(C2=C(C=CC=C2N1CC(=O)O)C3=CC=CS3)SC4=CC=C(C=C4)S(=O)(=O)C

InChI

InChI=1S/C22H19NO4S3/c1-14-22(29-15-8-10-16(11-9-15)30(2,26)27)21-17(19-7-4-12-28-19)5-3-6-18(21)23(14)13-20(24)25/h3-12H,13H2,1-2H3,(H,24,25)