butyl 2-[2-[2,4-bis(chloranyl)phenoxy]ethanoylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: butyl 2-[2-[2,4-bis(chloranyl)phenoxy]ethanoylamino]-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[2-(2,4-dichlorophenoxy)-1-oxoethyl]amino]-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzothiophene-3-carboxylic acid butyl ester Formula: C21H19Cl2NO4S MolecularWeight: 452.35086

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)COC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)COC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H19Cl2NO4S/c1-2-3-10-27-21(26)19-14-6-4-5-7-17(14)29-20(19)24-18(25)12-28-16-9-8-13(22)11-15(16)23/h4-9,11H,2-3,10,12H2,1H3,(H,24,25)