[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 3-chloranyl-6-methoxy-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 3-chloranyl-6-methoxy-1-benzothiophene-2-carboxylate Openeye Name: [2-(cyclohexylmethylamino)-2-oxo-ethyl] 3-chloro-6-methoxy-benzothiophene-2-carboxylate CAS Name: 3-chloro-6-methoxy-1-benzothiophene-2-carboxylic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl] 3-chloro-6-methoxy-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-methoxy-benzothiophene-2-carboxylic acid [2-(cyclohexylmethylamino)-2-keto-ethyl] ester Formula: C19H22ClNO4S MolecularWeight: 395.90028

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=C(S2)C(=O)OCC(=O)NCC3CCCCC3)Cl

Isomeric SMILES

COC1=CC2=C(C=C1)C(=C(S2)C(=O)OCC(=O)NCC3CCCCC3)Cl

InChI

InChI=1S/C19H22ClNO4S/c1-24-13-7-8-14-15(9-13)26-18(17(14)20)19(23)25-11-16(22)21-10-12-5-3-2-4-6-12/h7-9,12H,2-6,10-11H2,1H3,(H,21,22)