methyl 2-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-(4-chloro-3,5-dimethylphenoxy)-1-oxoethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-(4-chloro-3,5-dimethyl-phenoxy)acetyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C19H17ClN2O4S MolecularWeight: 404.86728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OCC(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H17ClN2O4S/c1-10-6-13(7-11(2)17(10)20)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)