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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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