methyl 2-[2-(2-bromanyl-4,6-dimethyl-phenoxy)ethanoylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[2-(2-bromanyl-4,6-dimethyl-phenoxy)ethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[2-(2-bromo-4,6-dimethyl-phenoxy)acetyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-(2-bromo-4,6-dimethylphenoxy)-1-oxoethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2-bromo-4,6-dimethylphenoxy)acetyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-(2-bromo-4,6-dimethyl-phenoxy)acetyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C19H17BrN2O4S MolecularWeight: 449.31828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC)C

InChI

InChI=1S/C19H17BrN2O4S/c1-10-6-11(2)17(13(20)7-10)26-9-16(23)22-19-21-14-5-4-12(18(24)25-3)8-15(14)27-19/h4-8H,9H2,1-3H3,(H,21,22,23)