butyl 2-[2-(3-chloranylphenoxy)propanoylamino]-1-benzothiophene-3-carboxylate

Systemtic Name: butyl 2-[2-(3-chloranylphenoxy)propanoylamino]-1-benzothiophene-3-carboxylate Openeye Name: butyl 2-[2-(3-chlorophenoxy)propanoylamino]benzothiophene-3-carboxylate CAS Name: 2-[[2-(3-chlorophenoxy)-1-oxopropyl]amino]-1-benzothiophene-3-carboxylic acid butyl ester IUPAC Name: butyl 2-[2-(3-chlorophenoxy)propanoylamino]-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(3-chlorophenoxy)propanoylamino]benzothiophene-3-carboxylic acid butyl ester Formula: C22H22ClNO4S MolecularWeight: 431.93238

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C(C)OC3=CC(=CC=C3)Cl

Isomeric SMILES

CCCCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)C(C)OC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H22ClNO4S/c1-3-4-12-27-22(26)19-17-10-5-6-11-18(17)29-21(19)24-20(25)14(2)28-16-9-7-8-15(23)13-16/h5-11,13-14H,3-4,12H2,1-2H3,(H,24,25)