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

Systemtic Name: butyl 2-[2-(4-chloranyl-3-methyl-phenoxy)ethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-(4-chloro-3-methylphenoxy)-1-oxoethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-(4-chloro-3-methyl-phenoxy)acetyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C21H21ClN2O4S MolecularWeight: 432.92044

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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)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O4S/c1-3-4-9-27-20(26)14-5-8-17-18(11-14)29-21(23-17)24-19(25)12-28-15-6-7-16(22)13(2)10-15/h5-8,10-11H,3-4,9,12H2,1-2H3,(H,23,24,25)