2-[4-[2-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonyl-phenethyl-amino]ethylsulfanyl]-2-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[2-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonyl-phenethyl-amino]ethylsulfanyl]-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[2-[(5-chloro-3-methyl-benzothiophen-2-yl)sulfonyl-phenethyl-amino]ethylsulfanyl]-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[2-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl-phenethylamino]ethylthio]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[2-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl-phenethylamino]ethylsulfanyl]-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[2-[(5-chloro-3-methyl-benzothiophen-2-yl)sulfonyl-phenethyl-amino]ethylthio]-2-methyl-phenoxy]acetic acid Formula: C28H28ClNO5S3 MolecularWeight: 590.17362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SCCN(CCC2=CC=CC=C2)S(=O)(=O)C3=C(C4=C(S3)C=CC(=C4)Cl)C)OCC(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)SCCN(CCC2=CC=CC=C2)S(=O)(=O)C3=C(C4=C(S3)C=CC(=C4)Cl)C)OCC(=O)O

InChI

InChI=1S/C28H28ClNO5S3/c1-19-16-23(9-10-25(19)35-18-27(31)32)36-15-14-30(13-12-21-6-4-3-5-7-21)38(33,34)28-20(2)24-17-22(29)8-11-26(24)37-28/h3-11,16-17H,12-15,18H2,1-2H3,(H,31,32)