[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 3,6-bis(chloranyl)-1-benzothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 3,6-bis(chloranyl)-1-benzothiophene-2-carboxylate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] 3,6-dichlorobenzothiophene-2-carboxylate CAS Name: 3,6-dichloro-1-benzothiophene-2-carboxylic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] 3,6-dichloro-1-benzothiophene-2-carboxylate Traditional Name: 3,6-dichlorobenzothiophene-2-carboxylic acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C20H17Cl2NO3S MolecularWeight: 422.32488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H17Cl2NO3S/c1-11(2)13-5-3-4-6-15(13)23-17(24)10-26-20(25)19-18(22)14-8-7-12(21)9-16(14)27-19/h3-9,11H,10H2,1-2H3,(H,23,24)