N-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-3-nitrophenyl)methylthio]acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-[(4-methoxy-3-nitro-benzyl)thio]acetamide Formula: C17H16N2O6S MolecularWeight: 376.38374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSCC(=O)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CSCC(=O)NC2=CC3=C(C=C2)OCO3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O6S/c1-23-14-4-2-11(6-13(14)19(21)22)8-26-9-17(20)18-12-3-5-15-16(7-12)25-10-24-15/h2-7H,8-10H2,1H3,(H,18,20)