[[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]methyl 2,2-dimethylpropanoate

Systemtic Name: [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]methyl 2,2-dimethylpropanoate Openeye Name: [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [[[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenoxy]-oxomethyl]amino]methyl ester IUPAC Name: [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methylphenoxy]carbonylamino]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [[4-(1,3-benzothiazol-2-ylmethoxy)-2-methyl-phenoxy]carbonylamino]methyl ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3S2)OC(=O)NCOC(=O)C(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)OCC2=NC3=CC=CC=C3S2)OC(=O)NCOC(=O)C(C)(C)C

InChI

InChI=1S/C22H24N2O5S/c1-14-11-15(27-12-19-24-16-7-5-6-8-18(16)30-19)9-10-17(14)29-21(26)23-13-28-20(25)22(2,3)4/h5-11H,12-13H2,1-4H3,(H,23,26)