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

Systemtic Name: 2-[5-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]ethanoic acid Openeye Name: 2-[5-(1,3-benzothiazol-2-ylmethoxy)-1-tert-butoxycarbonyl-2-methyl-indol-3-yl]acetic acid CAS Name: 2-[5-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-3-indolyl]acetic acid IUPAC Name: 2-[5-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-3-yl]acetic acid Traditional Name: 2-[5-(1,3-benzothiazol-2-ylmethoxy)-1-tert-butoxycarbonyl-2-methyl-indol-3-yl]acetic acid Formula: C24H24N2O5S MolecularWeight: 452.52276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)OCC3=NC4=CC=CC=C4S3)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)OCC3=NC4=CC=CC=C4S3)CC(=O)O

InChI

InChI=1S/C24H24N2O5S/c1-14-16(12-22(27)28)17-11-15(9-10-19(17)26(14)23(29)31-24(2,3)4)30-13-21-25-18-7-5-6-8-20(18)32-21/h5-11H,12-13H2,1-4H3,(H,27,28)