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

Systemtic Name: propan-2-yl 4-(3,4-dimethoxyphenyl)-2-[(5-nitrofuran-2-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: isopropyl 4-(3,4-dimethoxyphenyl)-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-2-[[(5-nitro-2-furanyl)-oxomethyl]amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(3,4-dimethoxyphenyl)-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-2-[(5-nitro-2-furoyl)amino]thiophene-3-carboxylic acid isopropyl ester Formula: C21H20N2O8S MolecularWeight: 460.4571

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)C1=C(SC=C1C2=CC(=C(C=C2)OC)OC)NC(=O)C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O8S/c1-11(2)30-21(25)18-13(12-5-6-14(28-3)16(9-12)29-4)10-32-20(18)22-19(24)15-7-8-17(31-15)23(26)27/h5-11H,1-4H3,(H,22,24)