[2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] 3,6-bis(chloranyl)-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] 3,6-bis(chloranyl)-1-benzothiophene-2-carboxylate Openeye Name: [2-(4-acetamidophenyl)-2-oxo-ethyl] 3,6-dichlorobenzothiophene-2-carboxylate CAS Name: 3,6-dichloro-1-benzothiophene-2-carboxylic acid [2-(4-acetamidophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidophenyl)-2-oxoethyl] 3,6-dichloro-1-benzothiophene-2-carboxylate Traditional Name: 3,6-dichlorobenzothiophene-2-carboxylic acid [2-(4-acetamidophenyl)-2-keto-ethyl] ester Formula: C19H13Cl2NO4S MolecularWeight: 422.28182

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

InChI

InChI=1S/C19H13Cl2NO4S/c1-10(23)22-13-5-2-11(3-6-13)15(24)9-26-19(25)18-17(21)14-7-4-12(20)8-16(14)27-18/h2-8H,9H2,1H3,(H,22,23)