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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)COC(=O)C2=C(C3=C(C=C(C=C3S2)Cl)Cl)Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)COC(=O)C2=C(C3=C(C=C(C=C3S2)Cl)Cl)Cl

InChI

InChI=1S/C17H16Cl3NO3S/c18-10-7-11(19)14-12(8-10)25-16(15(14)20)17(23)24-9-13(22)21-5-3-1-2-4-6-21/h7-8H,1-6,9H2