butyl 2-[2-(4-chloranylphenoxy)ethanoylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: butyl 2-[2-(4-chloranylphenoxy)ethanoylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: butyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[2-(4-chlorophenoxy)-1-oxoethyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester IUPAC Name: butyl 2-[[2-(4-chlorophenoxy)acetyl]amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[[2-(4-chlorophenoxy)acetyl]amino]-1,3-benzothiazole-6-carboxylic acid butyl ester Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O4S/c1-2-3-10-26-19(25)13-4-9-16-17(11-13)28-20(22-16)23-18(24)12-27-15-7-5-14(21)6-8-15/h4-9,11H,2-3,10,12H2,1H3,(H,22,23,24)