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

Systemtic Name: [2-(2-chlorophenyl)-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate Openeye Name: [2-(2-chlorophenyl)-2-oxo-ethyl] 2-(1,3-benzothiazol-2-yl)benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-(2-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2-chlorophenyl)-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)benzoic acid [2-(2-chlorophenyl)-2-keto-ethyl] ester Formula: C22H14ClNO3S MolecularWeight: 407.86946

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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=CC=CC=C4Cl

Isomeric SMILES

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)C(=O)OCC(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C22H14ClNO3S/c23-17-10-4-3-9-16(17)19(25)13-27-22(26)15-8-2-1-7-14(15)21-24-18-11-5-6-12-20(18)28-21/h1-12H,13H2