3-(4-methylphenyl)-1,1-bis(oxidanylidene)-4-phenylmethoxy-1,2-benzothiazole-6-carboxylic acid

Systemtic Name: 3-(4-methylphenyl)-1,1-bis(oxidanylidene)-4-phenylmethoxy-1,2-benzothiazole-6-carboxylic acid Openeye Name: 4-benzyloxy-1,1-dioxo-3-(p-tolyl)-1,2-benzothiazole-6-carboxylic acid CAS Name: 3-(4-methylphenyl)-1,1-dioxo-4-phenylmethoxy-1,2-benzothiazole-6-carboxylic acid IUPAC Name: 3-(4-methylphenyl)-1,1-dioxo-4-phenylmethoxy-1,2-benzothiazole-6-carboxylic acid Traditional Name: 4-benzoxy-1,1-diketo-3-(p-tolyl)-1,2-benzothiazole-6-carboxylic acid Formula: C22H17NO5S MolecularWeight: 407.43908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NS(=O)(=O)C3=CC(=CC(=C32)OCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NS(=O)(=O)C3=CC(=CC(=C32)OCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C22H17NO5S/c1-14-7-9-16(10-8-14)21-20-18(28-13-15-5-3-2-4-6-15)11-17(22(24)25)12-19(20)29(26,27)23-21/h2-12H,13H2,1H3,(H,24,25)