2-[1-[4-(1,3-benzoxathiol-2-ylmethoxy)phenyl]carbonyl-2-methyl-indol-4-yl]ethanoic acid

Systemtic Name: 2-[1-[4-(1,3-benzoxathiol-2-ylmethoxy)phenyl]carbonyl-2-methyl-indol-4-yl]ethanoic acid Openeye Name: 2-[1-[4-(1,3-benzoxathiol-2-ylmethoxy)benzoyl]-2-methyl-indol-4-yl]acetic acid CAS Name: 2-[1-[[4-(1,3-benzoxathiol-2-ylmethoxy)phenyl]-oxomethyl]-2-methyl-4-indolyl]acetic acid IUPAC Name: 2-[1-[4-(1,3-benzoxathiol-2-ylmethoxy)benzoyl]-2-methylindol-4-yl]acetic acid Traditional Name: 2-[1-[4-(1,3-benzoxathiol-2-ylmethoxy)benzoyl]-2-methyl-indol-4-yl]acetic acid Formula: C26H21NO5S MolecularWeight: 459.51364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCC4OC5=CC=CC=C5S4)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCC4OC5=CC=CC=C5S4)CC(=O)O

InChI

InChI=1S/C26H21NO5S/c1-16-13-20-18(14-24(28)29)5-4-6-21(20)27(16)26(30)17-9-11-19(12-10-17)31-15-25-32-22-7-2-3-8-23(22)33-25/h2-13,25H,14-15H2,1H3,(H,28,29)