3-[[6-(1,3-benzothiazol-2-ylmethoxy)-4-oxidanyl-3,4-dihydro-2H-chromen-3-yl]methyl]benzoic acid

Systemtic Name: 3-[[6-(1,3-benzothiazol-2-ylmethoxy)-4-oxidanyl-3,4-dihydro-2H-chromen-3-yl]methyl]benzoic acid Openeye Name: 3-[[6-(1,3-benzothiazol-2-ylmethoxy)-4-hydroxy-chroman-3-yl]methyl]benzoic acid CAS Name: 3-[[6-(1,3-benzothiazol-2-ylmethoxy)-4-hydroxy-3,4-dihydro-2H-1-benzopyran-3-yl]methyl]benzoic acid IUPAC Name: 3-[[6-(1,3-benzothiazol-2-ylmethoxy)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]methyl]benzoic acid Traditional Name: 3-[[6-(1,3-benzothiazol-2-ylmethoxy)-4-hydroxy-chroman-3-yl]methyl]benzoic acid Formula: C25H21NO5S MolecularWeight: 447.50294

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C2=C(O1)C=CC(=C2)OCC3=NC4=CC=CC=C4S3)O)CC5=CC=CC(=C5)C(=O)O

Isomeric SMILES

C1C(C(C2=C(O1)C=CC(=C2)OCC3=NC4=CC=CC=C4S3)O)CC5=CC=CC(=C5)C(=O)O

InChI

InChI=1S/C25H21NO5S/c27-24-17(11-15-4-3-5-16(10-15)25(28)29)13-31-21-9-8-18(12-19(21)24)30-14-23-26-20-6-1-2-7-22(20)32-23/h1-10,12,17,24,27H,11,13-14H2,(H,28,29)