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

Systemtic Name: [2-(cycloheptylamino)-2-oxidanylidene-ethyl] 3,4,6-tris(chloranyl)-1-benzothiophene-2-carboxylate Openeye Name: [2-(cycloheptylamino)-2-oxo-ethyl] 3,4,6-trichlorobenzothiophene-2-carboxylate CAS Name: 3,4,6-trichloro-1-benzothiophene-2-carboxylic acid [2-(cycloheptylamino)-2-oxoethyl] ester IUPAC Name: [2-(cycloheptylamino)-2-oxoethyl] 3,4,6-trichloro-1-benzothiophene-2-carboxylate Traditional Name: 3,4,6-trichlorobenzothiophene-2-carboxylic acid [2-(cycloheptylamino)-2-keto-ethyl] ester Formula: C18H18Cl3NO3S MolecularWeight: 434.76442

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)COC(=O)C2=C(C3=C(C=C(C=C3S2)Cl)Cl)Cl

Isomeric SMILES

C1CCCC(CC1)NC(=O)COC(=O)C2=C(C3=C(C=C(C=C3S2)Cl)Cl)Cl

InChI

InChI=1S/C18H18Cl3NO3S/c19-10-7-12(20)15-13(8-10)26-17(16(15)21)18(24)25-9-14(23)22-11-5-3-1-2-4-6-11/h7-8,11H,1-6,9H2,(H,22,23)