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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O7S/c1-4-28-14-7-5-13(6-8-14)15-11-31-20(18(15)21(25)29-12(2)3)22-19(24)16-9-10-17(30-16)23(26)27/h5-12H,4H2,1-3H3,(H,22,24)