(2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]benzoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]benzoic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C21H15NO4S2 MolecularWeight: 409.4781

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3O2)C(=O)OCC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3O2)C(=O)OCC(=O)C4=CC=CS4

InChI

InChI=1S/C21H15NO4S2/c23-17(19-10-5-11-27-19)12-25-20(24)15-7-2-1-6-14(15)13-28-21-22-16-8-3-4-9-18(16)26-21/h1-11H,12-13H2