[2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate

Systemtic Name: [2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: [2-(2,4-dichlorophenyl)-2-oxo-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-(2,4-dichlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dichlorophenyl)-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-(2,4-dichlorophenyl)-2-keto-ethyl] ester Formula: C22H13Cl2NO3S MolecularWeight: 442.31452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)C(=O)OCC(=O)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)C(=O)OCC(=O)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H13Cl2NO3S/c23-13-9-10-16(17(24)11-13)19(26)12-28-22(27)15-6-2-1-5-14(15)21-25-18-7-3-4-8-20(18)29-21/h1-11H,12H2