2-[2,5-dimethyl-4-methylsulfonyl-3-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]indol-1-yl]ethanoic acid

Systemtic Name: 2-[2,5-dimethyl-4-methylsulfonyl-3-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]indol-1-yl]ethanoic acid Openeye Name: 2-[2,5-dimethyl-4-methylsulfonyl-3-(4-phenylthiazol-2-yl)sulfanyl-indol-1-yl]acetic acid CAS Name: 2-[2,5-dimethyl-4-methylsulfonyl-3-[(4-phenyl-2-thiazolyl)thio]-1-indolyl]acetic acid IUPAC Name: 2-[2,5-dimethyl-4-methylsulfonyl-3-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]indol-1-yl]acetic acid Traditional Name: 2-[4-mesyl-2,5-dimethyl-3-[(4-phenylthiazol-2-yl)thio]indol-1-yl]acetic acid Formula: C22H20N2O4S3 MolecularWeight: 472.6002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)N(C(=C2SC3=NC(=CS3)C4=CC=CC=C4)C)CC(=O)O)S(=O)(=O)C

Isomeric SMILES

CC1=C(C2=C(C=C1)N(C(=C2SC3=NC(=CS3)C4=CC=CC=C4)C)CC(=O)O)S(=O)(=O)C

InChI

InChI=1S/C22H20N2O4S3/c1-13-9-10-17-19(21(13)31(3,27)28)20(14(2)24(17)11-18(25)26)30-22-23-16(12-29-22)15-7-5-4-6-8-15/h4-10,12H,11H2,1-3H3,(H,25,26)