2-(1-adamantylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-ethanamide

Systemtic Name: 2-(1-adamantylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-ethanamide Openeye Name: 2-(1-adamantylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-acetamide CAS Name: 2-(1-adamantylthio)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide IUPAC Name: 2-(1-adamantylsulfanyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethylacetamide Traditional Name: 2-(1-adamantylthio)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-ethyl-acetamide Formula: C23H31NO3S MolecularWeight: 401.56214

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCCO2)C(=O)CSC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCCO2)C(=O)CSC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H31NO3S/c1-2-24(14-16-3-4-20-21(10-16)27-6-5-26-20)22(25)15-28-23-11-17-7-18(12-23)9-19(8-17)13-23/h3-4,10,17-19H,2,5-9,11-15H2,1H3