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

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 4,5,6,7-tetrahydrobenzothiophene-2-carboxylate CAS Name: 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylate Traditional Name: 4,5,6,7-tetrahydrobenzothiophene-2-carboxylic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C22H29NO3S MolecularWeight: 387.53556

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCC2=C(C1)C=C(S2)C(=O)OCC(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H29NO3S/c24-20(12-26-21(25)19-8-17-3-1-2-4-18(17)27-19)23-13-22-9-14-5-15(10-22)7-16(6-14)11-22/h8,14-16H,1-7,9-13H2,(H,23,24)