N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-(methylthio)-3-nitro-benzamide Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)NCC2COC3=CC=CC=C3O2)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)NC[C@H]2COC3=CC=CC=C3O2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O5S/c1-25-16-7-6-11(8-13(16)19(21)22)17(20)18-9-12-10-23-14-4-2-3-5-15(14)24-12/h2-8,12H,9-10H2,1H3,(H,18,20)/t12-/m0/s1