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

Systemtic Name: butyl 2-[2-(4-chloranyl-3,5-dimethyl-phenoxy)ethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C22H23ClN2O4S MolecularWeight: 446.94702

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)COC3=CC(=C(C(=C3)C)Cl)C

Isomeric SMILES

CCCCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)COC3=CC(=C(C(=C3)C)Cl)C

InChI

InChI=1S/C22H23ClN2O4S/c1-4-5-8-28-21(27)15-6-7-17-18(11-15)30-22(24-17)25-19(26)12-29-16-9-13(2)20(23)14(3)10-16/h6-7,9-11H,4-5,8,12H2,1-3H3,(H,24,25,26)