propan-2-yl 2-[[2-(4-bromanylphenoxy)-2-methyl-propanoyl]amino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: propan-2-yl 2-[[2-(4-bromanylphenoxy)-2-methyl-propanoyl]amino]-1,3-benzothiazole-6-carboxylate Openeye Name: isopropyl 2-[[2-(4-bromophenoxy)-2-methyl-propanoyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-(4-bromophenoxy)-2-methyl-1-oxopropyl]amino]-1,3-benzothiazole-6-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[2-(4-bromophenoxy)-2-methylpropanoyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-(4-bromophenoxy)-2-methyl-propanoyl]amino]-1,3-benzothiazole-6-carboxylic acid isopropyl ester Formula: C21H21BrN2O4S MolecularWeight: 477.37144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)(C)OC3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)OC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C(C)(C)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H21BrN2O4S/c1-12(2)27-18(25)13-5-10-16-17(11-13)29-20(23-16)24-19(26)21(3,4)28-15-8-6-14(22)7-9-15/h5-12H,1-4H3,(H,23,24,26)