2-[5-bromanyl-1-[(5-propan-2-yloxy-1-benzothiophen-3-yl)methyl]indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-bromanyl-1-[(5-propan-2-yloxy-1-benzothiophen-3-yl)methyl]indol-3-yl]ethanoic acid Openeye Name: 2-[5-bromo-1-[(5-isopropoxybenzothiophen-3-yl)methyl]indol-3-yl]acetic acid CAS Name: 2-[5-bromo-1-[(5-propan-2-yloxy-1-benzothiophen-3-yl)methyl]-3-indolyl]acetic acid IUPAC Name: 2-[5-bromo-1-[(5-propan-2-yloxy-1-benzothiophen-3-yl)methyl]indol-3-yl]acetic acid Traditional Name: 2-[5-bromo-1-[(5-isopropoxybenzothiophen-3-yl)methyl]indol-3-yl]acetic acid Formula: C22H20BrNO3S MolecularWeight: 458.3681

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=CC2=C(C=C1)SC=C2CN3C=C(C4=C3C=CC(=C4)Br)CC(=O)O

Isomeric SMILES

CC(C)OC1=CC2=C(C=C1)SC=C2CN3C=C(C4=C3C=CC(=C4)Br)CC(=O)O

InChI

InChI=1S/C22H20BrNO3S/c1-13(2)27-17-4-6-21-19(9-17)15(12-28-21)11-24-10-14(7-22(25)26)18-8-16(23)3-5-20(18)24/h3-6,8-10,12-13H,7,11H2,1-2H3,(H,25,26)