(2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(phenylmethylsulfanyl)propanamide

Systemtic Name: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(phenylmethylsulfanyl)propanamide Openeye Name: (2S)-2-benzylsulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide CAS Name: (2S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(phenylmethylthio)propanamide IUPAC Name: (2S)-2-benzylsulfanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide Traditional Name: (2S)-2-(benzylthio)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propionamide Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)SCC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC2=C(C=C1)OCCO2)SCC3=CC=CC=C3

InChI

InChI=1S/C18H19NO3S/c1-13(23-12-14-5-3-2-4-6-14)18(20)19-15-7-8-16-17(11-15)22-10-9-21-16/h2-8,11,13H,9-10,12H2,1H3,(H,19,20)/t13-/m0/s1