[2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate

Systemtic Name: [2-(cyclohexylmethylamino)-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(cyclohexylmethylamino)-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-(cyclohexylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylmethylamino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-(cyclohexylmethylamino)-2-keto-ethyl] ester Formula: C18H25NO3S MolecularWeight: 335.461

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)COC(=O)C2=CC3=C(S2)CCCC3

Isomeric SMILES

C1CCC(CC1)CNC(=O)COC(=O)C2=CC3=C(S2)CCCC3

InChI

InChI=1S/C18H25NO3S/c20-17(19-11-13-6-2-1-3-7-13)12-22-18(21)16-10-14-8-4-5-9-15(14)23-16/h10,13H,1-9,11-12H2,(H,19,20)