2-[2-methyl-1-[4-[(5-methyl-1,3-benzoxathiol-2-yl)methoxy]phenyl]carbonyl-indol-4-yl]ethanoic acid

Systemtic Name: 2-[2-methyl-1-[4-[(5-methyl-1,3-benzoxathiol-2-yl)methoxy]phenyl]carbonyl-indol-4-yl]ethanoic acid Openeye Name: 2-[2-methyl-1-[4-[(5-methyl-1,3-benzoxathiol-2-yl)methoxy]benzoyl]indol-4-yl]acetic acid CAS Name: 2-[2-methyl-1-[[4-[(5-methyl-1,3-benzoxathiol-2-yl)methoxy]phenyl]-oxomethyl]-4-indolyl]acetic acid IUPAC Name: 2-[2-methyl-1-[4-[(5-methyl-1,3-benzoxathiol-2-yl)methoxy]benzoyl]indol-4-yl]acetic acid Traditional Name: 2-[2-methyl-1-[4-[(5-methyl-1,3-benzoxathiol-2-yl)methoxy]benzoyl]indol-4-yl]acetic acid Formula: C27H23NO5S MolecularWeight: 473.54022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(S2)COC3=CC=C(C=C3)C(=O)N4C(=CC5=C(C=CC=C54)CC(=O)O)C

Isomeric SMILES

CC1=CC2=C(C=C1)OC(S2)COC3=CC=C(C=C3)C(=O)N4C(=CC5=C(C=CC=C54)CC(=O)O)C

InChI

InChI=1S/C27H23NO5S/c1-16-6-11-23-24(12-16)34-26(33-23)15-32-20-9-7-18(8-10-20)27(31)28-17(2)13-21-19(14-25(29)30)4-3-5-22(21)28/h3-13,26H,14-15H2,1-2H3,(H,29,30)