[2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3,4,6-tris(chloranyl)-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(3-methylpiperidin-1-yl)-2-oxidanylidene-ethyl] 3,4,6-tris(chloranyl)-1-benzothiophene-2-carboxylate Openeye Name: [2-(3-methyl-1-piperidyl)-2-oxo-ethyl] 3,4,6-trichlorobenzothiophene-2-carboxylate CAS Name: 3,4,6-trichloro-1-benzothiophene-2-carboxylic acid [2-(3-methyl-1-piperidinyl)-2-oxoethyl] ester IUPAC Name: [2-(3-methylpiperidin-1-yl)-2-oxoethyl] 3,4,6-trichloro-1-benzothiophene-2-carboxylate Traditional Name: 3,4,6-trichlorobenzothiophene-2-carboxylic acid [2-keto-2-(3-methylpiperidino)ethyl] ester Formula: C17H16Cl3NO3S MolecularWeight: 420.73784

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)COC(=O)C2=C(C3=C(C=C(C=C3S2)Cl)Cl)Cl

Isomeric SMILES

CC1CCCN(C1)C(=O)COC(=O)C2=C(C3=C(C=C(C=C3S2)Cl)Cl)Cl

InChI

InChI=1S/C17H16Cl3NO3S/c1-9-3-2-4-21(7-9)13(22)8-24-17(23)16-15(20)14-11(19)5-10(18)6-12(14)25-16/h5-6,9H,2-4,7-8H2,1H3