2,5-dimethyl-4-[[2-(prop-2-enoxycarbonyloxymethyl)-1,3-benzothiazol-5-yl]carbamoyl]benzoic acid

Systemtic Name: 2,5-dimethyl-4-[[2-(prop-2-enoxycarbonyloxymethyl)-1,3-benzothiazol-5-yl]carbamoyl]benzoic acid Openeye Name: 4-[[2-(allyloxycarbonyloxymethyl)-1,3-benzothiazol-5-yl]carbamoyl]-2,5-dimethyl-benzoic acid CAS Name: 2,5-dimethyl-4-[oxo-[[2-[[oxo(prop-2-enoxy)methoxy]methyl]-1,3-benzothiazol-5-yl]amino]methyl]benzoic acid IUPAC Name: 2,5-dimethyl-4-[[2-(prop-2-enoxycarbonyloxymethyl)-1,3-benzothiazol-5-yl]carbamoyl]benzoic acid Traditional Name: 4-[[2-(allyloxycarbonyloxymethyl)-1,3-benzothiazol-5-yl]carbamoyl]-2,5-dimethyl-benzoic acid Formula: C22H20N2O6S MolecularWeight: 440.469

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)NC2=CC3=C(C=C2)SC(=N3)COC(=O)OCC=C)C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)NC2=CC3=C(C=C2)SC(=N3)COC(=O)OCC=C)C)C(=O)O

InChI

InChI=1S/C22H20N2O6S/c1-4-7-29-22(28)30-11-19-24-17-10-14(5-6-18(17)31-19)23-20(25)15-8-13(3)16(21(26)27)9-12(15)2/h4-6,8-10H,1,7,11H2,2-3H3,(H,23,25)(H,26,27)