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

Systemtic Name: propan-2-yl 4-(4-ethoxyphenyl)-5-methyl-2-[(5-nitrofuran-2-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C22H22N2O7S MolecularWeight: 458.48428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O7S/c1-5-29-15-8-6-14(7-9-15)18-13(4)32-21(19(18)22(26)30-12(2)3)23-20(25)16-10-11-17(31-16)24(27)28/h6-12H,5H2,1-4H3,(H,23,25)