ethyl 4-(4-ethoxyphenyl)-5-methyl-2-[(5-nitrofuran-2-yl)carbonylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-ethoxyphenyl)-5-methyl-2-[(5-nitrofuran-2-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(4-ethoxyphenyl)-5-methyl-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-ethoxyphenyl)-5-methyl-2-[[(5-nitro-2-furanyl)-oxomethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-ethoxyphenyl)-5-methyl-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[(5-nitro-2-furoyl)amino]-4-p-phenetyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H20N2O7S MolecularWeight: 444.4577

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OCC)NC(=O)C3=CC=C(O3)[N+](=O)[O-])C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OCC)NC(=O)C3=CC=C(O3)[N+](=O)[O-])C

InChI

InChI=1S/C21H20N2O7S/c1-4-28-14-8-6-13(7-9-14)17-12(3)31-20(18(17)21(25)29-5-2)22-19(24)15-10-11-16(30-15)23(26)27/h6-11H,4-5H2,1-3H3,(H,22,24)