2-[5-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-1-(phenylmethyl)indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-1-(phenylmethyl)indol-3-yl]ethanoic acid Openeye Name: 2-[5-(1,3-benzothiazol-2-ylmethoxy)-1-benzyl-2-methyl-indol-3-yl]acetic acid CAS Name: 2-[5-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-1-(phenylmethyl)-3-indolyl]acetic acid IUPAC Name: 2-[5-(1,3-benzothiazol-2-ylmethoxy)-1-benzyl-2-methylindol-3-yl]acetic acid Traditional Name: 2-[5-(1,3-benzothiazol-2-ylmethoxy)-1-benzyl-2-methyl-indol-3-yl]acetic acid Formula: C26H22N2O3S MolecularWeight: 442.52948

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCC4=NC5=CC=CC=C5S4)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)OCC4=NC5=CC=CC=C5S4)CC(=O)O

InChI

InChI=1S/C26H22N2O3S/c1-17-20(14-26(29)30)21-13-19(31-16-25-27-22-9-5-6-10-24(22)32-25)11-12-23(21)28(17)15-18-7-3-2-4-8-18/h2-13H,14-16H2,1H3,(H,29,30)