[2-(cyclooctylamino)-2-oxidanylidene-ethyl] 3,7-bis(chloranyl)-6-methoxy-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(cyclooctylamino)-2-oxidanylidene-ethyl] 3,7-bis(chloranyl)-6-methoxy-1-benzothiophene-2-carboxylate Openeye Name: [2-(cyclooctylamino)-2-oxo-ethyl] 3,7-dichloro-6-methoxy-benzothiophene-2-carboxylate CAS Name: 3,7-dichloro-6-methoxy-1-benzothiophene-2-carboxylic acid [2-(cyclooctylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclooctylamino)-2-oxoethyl] 3,7-dichloro-6-methoxy-1-benzothiophene-2-carboxylate Traditional Name: 3,7-dichloro-6-methoxy-benzothiophene-2-carboxylic acid [2-(cyclooctylamino)-2-keto-ethyl] ester Formula: C20H23Cl2NO4S MolecularWeight: 444.37192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=C(S2)C(=O)OCC(=O)NC3CCCCCCC3)Cl)Cl

Isomeric SMILES

COC1=C(C2=C(C=C1)C(=C(S2)C(=O)OCC(=O)NC3CCCCCCC3)Cl)Cl

InChI

InChI=1S/C20H23Cl2NO4S/c1-26-14-10-9-13-16(21)19(28-18(13)17(14)22)20(25)27-11-15(24)23-12-7-5-3-2-4-6-8-12/h9-10,12H,2-8,11H2,1H3,(H,23,24)