2-[3-[5-bromanyl-1-(4-chlorophenyl)-3,3-dimethyl-2-benzothiophen-1-yl]propyl-methyl-amino]ethanoic acid

Systemtic Name: 2-[3-[5-bromanyl-1-(4-chlorophenyl)-3,3-dimethyl-2-benzothiophen-1-yl]propyl-methyl-amino]ethanoic acid Openeye Name: 2-[3-[5-bromo-1-(4-chlorophenyl)-3,3-dimethyl-2-benzothiophen-1-yl]propyl-methyl-amino]acetic acid CAS Name: 2-[3-[5-bromo-1-(4-chlorophenyl)-3,3-dimethyl-2-benzothiophen-1-yl]propyl-methylamino]acetic acid IUPAC Name: 2-[3-[5-bromo-1-(4-chlorophenyl)-3,3-dimethyl-2-benzothiophen-1-yl]propyl-methylamino]acetic acid Traditional Name: 2-[3-[5-bromo-1-(4-chlorophenyl)-3,3-dimethyl-isobenzothiophen-1-yl]propyl-methyl-amino]acetic acid Formula: C22H25BrClNO2S MolecularWeight: 482.8614

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)Br)C(S1)(CCCN(C)CC(=O)O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)Br)C(S1)(CCCN(C)CC(=O)O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C22H25BrClNO2S/c1-21(2)19-13-16(23)7-10-18(19)22(28-21,15-5-8-17(24)9-6-15)11-4-12-25(3)14-20(26)27/h5-10,13H,4,11-12,14H2,1-3H3,(H,26,27)