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

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 3,6-bis(chloranyl)-1-benzothiophene-2-carboxylate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 3,6-dichlorobenzothiophene-2-carboxylate CAS Name: 3,6-dichloro-1-benzothiophene-2-carboxylic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 3,6-dichloro-1-benzothiophene-2-carboxylate Traditional Name: 3,6-dichlorobenzothiophene-2-carboxylic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C16H17Cl2NO3S MolecularWeight: 374.28208

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=C(C2=C(S1)C=C(C=C2)Cl)Cl

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=C(C2=C(S1)C=C(C=C2)Cl)Cl

InChI

InChI=1S/C16H17Cl2NO3S/c1-3-10(4-2)19-13(20)8-22-16(21)15-14(18)11-6-5-9(17)7-12(11)23-15/h5-7,10H,3-4,8H2,1-2H3,(H,19,20)