ethyl 2-[4-[2,4-bis(chloranyl)phenoxy]butanoylamino]-1-benzothiophene-3-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)CCCOC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC2=CC=CC=C21)NC(=O)CCCOC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H19Cl2NO4S/c1-2-27-21(26)19-14-6-3-4-7-17(14)29-20(19)24-18(25)8-5-11-28-16-10-9-13(22)12-15(16)23/h3-4,6-7,9-10,12H,2,5,8,11H2,1H3,(H,24,25)