(3S)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide

Systemtic Name: (3S)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Openeye Name: (3S)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide CAS Name: (3S)-N-methyl-N-[[4-(methylthio)phenyl]methyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide IUPAC Name: (3S)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide Traditional Name: (3S)-N-methyl-N-[4-(methylthio)benzyl]-2,3-dihydro-1,4-benzodioxin-3-carboxamide Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)C(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)C(=O)[C@@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C18H19NO3S/c1-19(11-13-7-9-14(23-2)10-8-13)18(20)17-12-21-15-5-3-4-6-16(15)22-17/h3-10,17H,11-12H2,1-2H3/t17-/m0/s1