1,3-benzothiazol-2-ylmethyl 4,5-dimethoxy-2-(2-thiophen-2-ylethanoylamino)benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4,5-dimethoxy-2-(2-thiophen-2-ylethanoylamino)benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4,5-dimethoxy-2-[[2-(2-thienyl)acetyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[(1-oxo-2-thiophen-2-ylethyl)amino]benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[2-(2-thienyl)acetyl]amino]benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C23H20N2O5S2 MolecularWeight: 468.5453

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC2=NC3=CC=CC=C3S2)NC(=O)CC4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC2=NC3=CC=CC=C3S2)NC(=O)CC4=CC=CS4)OC

InChI

InChI=1S/C23H20N2O5S2/c1-28-18-11-15(23(27)30-13-22-25-16-7-3-4-8-20(16)32-22)17(12-19(18)29-2)24-21(26)10-14-6-5-9-31-14/h3-9,11-12H,10,13H2,1-2H3,(H,24,26)