butyl 2-[2-(4-chlorophenyl)ethanoylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: butyl 2-[2-(4-chlorophenyl)ethanoylamino]-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-[[2-(4-chlorophenyl)acetyl]amino]benzothiophene-3-carboxylate CAS Name: 2-[[2-(4-chlorophenyl)-1-oxoethyl]amino]-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-[[2-(4-chlorophenyl)acetyl]amino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-chlorophenyl)acetyl]amino]benzothiophene-3-carboxylic acid butyl ester Formula: C21H20ClNO3S MolecularWeight: 401.9064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H20ClNO3S/c1-2-3-12-26-21(25)19-16-6-4-5-7-17(16)27-20(19)23-18(24)13-14-8-10-15(22)11-9-14/h4-11H,2-3,12-13H2,1H3,(H,23,24)