2-[3-chloranyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]-1,3-benzothiazole-6-carboxylic acid

Systemtic Name: 2-[3-chloranyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]-1,3-benzothiazole-6-carboxylic acid Openeye Name: 2-[3-(tert-butoxycarbonylamino)-5-chloro-phenoxy]-1,3-benzothiazole-6-carboxylic acid CAS Name: 2-[3-chloro-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenoxy]-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 2-[3-chloro-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenoxy]-1,3-benzothiazole-6-carboxylic acid Traditional Name: 2-[3-(tert-butoxycarbonylamino)-5-chloro-phenoxy]-1,3-benzothiazole-6-carboxylic acid Formula: C19H17ClN2O5S MolecularWeight: 420.86668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC(=CC(=C1)Cl)OC2=NC3=C(S2)C=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC(=CC(=C1)Cl)OC2=NC3=C(S2)C=C(C=C3)C(=O)O

InChI

InChI=1S/C19H17ClN2O5S/c1-19(2,3)27-17(25)21-12-7-11(20)8-13(9-12)26-18-22-14-5-4-10(16(23)24)6-15(14)28-18/h4-9H,1-3H3,(H,21,25)(H,23,24)