3-[4-[2-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonyl-propyl-amino]ethylsulfanyl]-2-methyl-phenyl]propanoic acid

Systemtic Name: 3-[4-[2-[(5-chloranyl-3-methyl-1-benzothiophen-2-yl)sulfonyl-propyl-amino]ethylsulfanyl]-2-methyl-phenyl]propanoic acid Openeye Name: 3-[4-[2-[(5-chloro-3-methyl-benzothiophen-2-yl)sulfonyl-propyl-amino]ethylsulfanyl]-2-methyl-phenyl]propanoic acid CAS Name: 3-[4-[2-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl-propylamino]ethylthio]-2-methylphenyl]propanoic acid IUPAC Name: 3-[4-[2-[(5-chloro-3-methyl-1-benzothiophen-2-yl)sulfonyl-propylamino]ethylsulfanyl]-2-methylphenyl]propanoic acid Traditional Name: 3-[4-[2-[(5-chloro-3-methyl-benzothiophen-2-yl)sulfonyl-propyl-amino]ethylthio]-2-methyl-phenyl]propionic acid Formula: C24H28ClNO4S3 MolecularWeight: 526.13142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28ClNO4S3/c1-4-11-26(12-13-31-20-8-5-18(16(2)14-20)6-10-23(27)28)33(29,30)24-17(3)21-15-19(25)7-9-22(21)32-24/h5,7-9,14-15H,4,6,10-13H2,1-3H3,(H,27,28)