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

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 3,4,6-tris(chloranyl)-1-benzothiophene-2-carboxylate Openeye Name: [2-(cyclooctylamino)-2-oxo-ethyl] 3,4,6-trichlorobenzothiophene-2-carboxylate CAS Name: 3,4,6-trichloro-1-benzothiophene-2-carboxylic acid [2-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 3,4,6-trichloro-1-benzothiophene-2-carboxylate Traditional Name: 3,4,6-trichlorobenzothiophene-2-carboxylic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C19H20Cl3NO3S MolecularWeight: 448.791

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC(=O)COC(=O)C2=C(C3=C(C=C(C=C3S2)Cl)Cl)Cl

Isomeric SMILES

C1CCCC(CCC1)NC(=O)COC(=O)C2=C(C3=C(C=C(C=C3S2)Cl)Cl)Cl

InChI

InChI=1S/C19H20Cl3NO3S/c20-11-8-13(21)16-14(9-11)27-18(17(16)22)19(25)26-10-15(24)23-12-6-4-2-1-3-5-7-12/h8-9,12H,1-7,10H2,(H,23,24)