2-[4-[1-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonyl-propyl-amino]butan-2-ylsulfanyl]-2-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[1-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonyl-propyl-amino]butan-2-ylsulfanyl]-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[1-[[(5-chloro-3-methyl-benzothiophen-2-yl)sulfonyl-propyl-amino]methyl]propylsulfanyl]-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl-propylamino]butan-2-ylthio]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[1-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl-propylamino]butan-2-ylsulfanyl]-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[1-[[(5-chloro-3-methyl-benzothiophen-2-yl)sulfonyl-propyl-amino]methyl]propylthio]-2-methyl-phenoxy]acetic acid Formula: C25H30ClNO5S3 MolecularWeight: 556.1574

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(CC)SC1=CC(=C(C=C1)OCC(=O)O)C)S(=O)(=O)C2=C(C3=C(S2)C=CC(=C3)Cl)C

Isomeric SMILES

CCCN(CC(CC)SC1=CC(=C(C=C1)OCC(=O)O)C)S(=O)(=O)C2=C(C3=C(S2)C=CC(=C3)Cl)C

InChI

InChI=1S/C25H30ClNO5S3/c1-5-11-27(35(30,31)25-17(4)21-13-18(26)7-10-23(21)34-25)14-19(6-2)33-20-8-9-22(16(3)12-20)32-15-24(28)29/h7-10,12-13,19H,5-6,11,14-15H2,1-4H3,(H,28,29)