ethyl 3-[[3-(methylsulfanylmethyl)-1-benzofuran-2-yl]carbonylamino]-5-(3-nitrophenyl)thiophene-2-carboxylate

Systemtic Name: ethyl 3-[[3-(methylsulfanylmethyl)-1-benzofuran-2-yl]carbonylamino]-5-(3-nitrophenyl)thiophene-2-carboxylate Openeye Name: ethyl 3-[[3-(methylsulfanylmethyl)benzofuran-2-carbonyl]amino]-5-(3-nitrophenyl)thiophene-2-carboxylate CAS Name: 3-[[[3-[(methylthio)methyl]-2-benzofuranyl]-oxomethyl]amino]-5-(3-nitrophenyl)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[3-(methylsulfanylmethyl)-1-benzofuran-2-carbonyl]amino]-5-(3-nitrophenyl)thiophene-2-carboxylate Traditional Name: 3-[[3-[(methylthio)methyl]benzofuran-2-carbonyl]amino]-5-(3-nitrophenyl)thiophene-2-carboxylic acid ethyl ester Formula: C24H20N2O6S2 MolecularWeight: 496.5554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=C(C4=CC=CC=C4O3)CSC

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC(=CC=C2)[N+](=O)[O-])NC(=O)C3=C(C4=CC=CC=C4O3)CSC

InChI

InChI=1S/C24H20N2O6S2/c1-3-31-24(28)22-18(12-20(34-22)14-7-6-8-15(11-14)26(29)30)25-23(27)21-17(13-33-2)16-9-4-5-10-19(16)32-21/h4-12H,3,13H2,1-2H3,(H,25,27)