N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-methylphenyl)sulfanyl-ethanamide

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-methylphenyl)sulfanyl-ethanamide Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(p-tolylsulfanyl)acetamide CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-[(4-methylphenyl)thio]acetamide IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(4-methylphenyl)sulfanylacetamide Traditional Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-2-(p-tolylthio)acetamide Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)NCC2COC3=CC=CC=C3O2

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)NC[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C18H19NO3S/c1-13-6-8-15(9-7-13)23-12-18(20)19-10-14-11-21-16-4-2-3-5-17(16)22-14/h2-9,14H,10-12H2,1H3,(H,19,20)/t14-/m0/s1