N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanamide

Systemtic Name: N-(6-ethanoyl-1,3-benzodioxol-5-yl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4-methoxy-3-nitro-phenyl)methylsulfanyl]acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4-methoxy-3-nitrophenyl)methylthio]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4-methoxy-3-nitrophenyl)methylsulfanyl]acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(4-methoxy-3-nitro-benzyl)thio]acetamide Formula: C19H18N2O7S MolecularWeight: 418.42042

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CSCC3=CC(=C(C=C3)OC)[N+](=O)[O-])OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CSCC3=CC(=C(C=C3)OC)[N+](=O)[O-])OCO2

InChI

InChI=1S/C19H18N2O7S/c1-11(22)13-6-17-18(28-10-27-17)7-14(13)20-19(23)9-29-8-12-3-4-16(26-2)15(5-12)21(24)25/h3-7H,8-10H2,1-2H3,(H,20,23)