3-[[2-(1,3-benzothiazol-2-yl)phenoxy]methyl]-5-methyl-2-oxidanyl-benzoic acid

Systemtic Name: 3-[[2-(1,3-benzothiazol-2-yl)phenoxy]methyl]-5-methyl-2-oxidanyl-benzoic acid Openeye Name: 3-[[2-(1,3-benzothiazol-2-yl)phenoxy]methyl]-2-hydroxy-5-methyl-benzoic acid CAS Name: 3-[[2-(1,3-benzothiazol-2-yl)phenoxy]methyl]-2-hydroxy-5-methylbenzoic acid IUPAC Name: 3-[[2-(1,3-benzothiazol-2-yl)phenoxy]methyl]-2-hydroxy-5-methylbenzoic acid Traditional Name: 3-[[2-(1,3-benzothiazol-2-yl)phenoxy]methyl]-2-hydroxy-5-methyl-benzoic acid Formula: C22H17NO4S MolecularWeight: 391.43968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)O)O)COC2=CC=CC=C2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)O)O)COC2=CC=CC=C2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H17NO4S/c1-13-10-14(20(24)16(11-13)22(25)26)12-27-18-8-4-2-6-15(18)21-23-17-7-3-5-9-19(17)28-21/h2-11,24H,12H2,1H3,(H,25,26)