(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(4-methylphenyl)methyl]propanamide

Systemtic Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(4-methylphenyl)methyl]propanamide Openeye Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-(p-tolylmethyl)propanamide CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-[(4-methylphenyl)methyl]propanamide IUPAC Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-N-[(4-methylphenyl)methyl]propanamide Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-N-(4-methylbenzyl)propionamide Formula: C19H21NO3S MolecularWeight: 343.43994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C(C)SC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)[C@H](C)SC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C19H21NO3S/c1-13-3-5-15(6-4-13)12-20-19(21)14(2)24-16-7-8-17-18(11-16)23-10-9-22-17/h3-8,11,14H,9-10,12H2,1-2H3,(H,20,21)/t14-/m0/s1