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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCC4CSC5=CC=CC=C5O4)CC(=O)O

Isomeric SMILES

CC1=CC2=C(C=CC=C2N1C(=O)C3=CC=C(C=C3)OCC4CSC5=CC=CC=C5O4)CC(=O)O

InChI

InChI=1S/C27H23NO5S/c1-17-13-22-19(14-26(29)30)5-4-6-23(22)28(17)27(31)18-9-11-20(12-10-18)32-15-21-16-34-25-8-3-2-7-24(25)33-21/h2-13,21H,14-16H2,1H3,(H,29,30)