N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-methylsulfanyl-2-nitro-benzamide

Systemtic Name: N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-methylsulfanyl-2-nitro-benzamide Openeye Name: N-(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)-5-methylsulfanyl-2-nitro-benzamide CAS Name: N-(5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl)-5-(methylthio)-2-nitrobenzamide IUPAC Name: N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-methylsulfanyl-2-nitrobenzamide Traditional Name: N-(5-ethoxy-2-methyl-coumaran-6-yl)-5-(methylthio)-2-nitro-benzamide Formula: C19H20N2O5S MolecularWeight: 388.4375

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)NC(=O)C3=C(C=CC(=C3)SC)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C2C(=C1)CC(O2)C)NC(=O)C3=C(C=CC(=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O5S/c1-4-25-18-8-12-7-11(2)26-17(12)10-15(18)20-19(22)14-9-13(27-3)5-6-16(14)21(23)24/h5-6,8-11H,4,7H2,1-3H3,(H,20,22)