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

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3,6-bis(chloranyl)-1-benzothiophene-2-carboxylate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 3,6-dichlorobenzothiophene-2-carboxylate CAS Name: 3,6-dichloro-1-benzothiophene-2-carboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3,6-dichloro-1-benzothiophene-2-carboxylate Traditional Name: 3,6-dichlorobenzothiophene-2-carboxylic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C18H16Cl2N2O3S MolecularWeight: 411.30224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl

InChI

InChI=1S/C18H16Cl2N2O3S/c19-11-4-5-12-13(8-11)26-16(15(12)20)17(24)25-9-14(23)22-18(10-21)6-2-1-3-7-18/h4-5,8H,1-3,6-7,9H2,(H,22,23)