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

Systemtic Name: 3-(4-chlorophenyl)-1,1-bis(oxidanylidene)-4-phenylmethoxy-1,2-benzothiazole-6-carboxylic acid Openeye Name: 4-benzyloxy-3-(4-chlorophenyl)-1,1-dioxo-1,2-benzothiazole-6-carboxylic acid CAS Name: 3-(4-chlorophenyl)-1,1-dioxo-4-phenylmethoxy-1,2-benzothiazole-6-carboxylic acid IUPAC Name: 3-(4-chlorophenyl)-1,1-dioxo-4-phenylmethoxy-1,2-benzothiazole-6-carboxylic acid Traditional Name: 4-benzoxy-3-(4-chlorophenyl)-1,1-diketo-1,2-benzothiazole-6-carboxylic acid Formula: C21H14ClNO5S MolecularWeight: 427.85756

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=C3C(=CC(=C2)C(=O)O)S(=O)(=O)N=C3C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=C3C(=CC(=C2)C(=O)O)S(=O)(=O)N=C3C4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H14ClNO5S/c22-16-8-6-14(7-9-16)20-19-17(28-12-13-4-2-1-3-5-13)10-15(21(24)25)11-18(19)29(26,27)23-20/h1-11H,12H2,(H,24,25)