2-[4-[2-[(7-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonyl-propyl-amino]ethylsulfanyl]-2-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[2-[(7-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonyl-propyl-amino]ethylsulfanyl]-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[2-[(7-chloro-3-methyl-benzothiophen-2-yl)sulfonyl-propyl-amino]ethylsulfanyl]-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[2-[(7-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl-propylamino]ethylthio]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[2-[(7-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl-propylamino]ethylsulfanyl]-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[2-[(7-chloro-3-methyl-benzothiophen-2-yl)sulfonyl-propyl-amino]ethylthio]-2-methyl-phenoxy]acetic acid Formula: C23H26ClNO5S3 MolecularWeight: 528.10424

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCSC1=CC(=C(C=C1)OCC(=O)O)C)S(=O)(=O)C2=C(C3=C(S2)C(=CC=C3)Cl)C

Isomeric SMILES

CCCN(CCSC1=CC(=C(C=C1)OCC(=O)O)C)S(=O)(=O)C2=C(C3=C(S2)C(=CC=C3)Cl)C

InChI

InChI=1S/C23H26ClNO5S3/c1-4-10-25(11-12-31-17-8-9-20(15(2)13-17)30-14-21(26)27)33(28,29)23-16(3)18-6-5-7-19(24)22(18)32-23/h5-9,13H,4,10-12,14H2,1-3H3,(H,26,27)