3-(methylsulfanylmethyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-benzofuran-2-carboxamide

Systemtic Name: 3-(methylsulfanylmethyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-benzofuran-2-carboxamide Openeye Name: 3-(methylsulfanylmethyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)benzofuran-2-carboxamide CAS Name: 3-[(methylthio)methyl]-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-benzofurancarboxamide IUPAC Name: 3-(methylsulfanylmethyl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-1-benzofuran-2-carboxamide Traditional Name: 3-[(methylthio)methyl]-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)coumarilamide Formula: C19H16N2O6S MolecularWeight: 400.40514

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=C(OC2=CC=CC=C21)C(=O)NC3=CC4=C(C=C3[N+](=O)[O-])OCCO4

Isomeric SMILES

CSCC1=C(OC2=CC=CC=C21)C(=O)NC3=CC4=C(C=C3[N+](=O)[O-])OCCO4

InChI

InChI=1S/C19H16N2O6S/c1-28-10-12-11-4-2-3-5-15(11)27-18(12)19(22)20-13-8-16-17(26-7-6-25-16)9-14(13)21(23)24/h2-5,8-9H,6-7,10H2,1H3,(H,20,22)