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

Systemtic Name: propan-2-yl 4-(3,4-dimethylphenyl)-2-[(5-nitrofuran-2-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: isopropyl 4-(3,4-dimethylphenyl)-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate CAS Name: 4-(3,4-dimethylphenyl)-2-[[(5-nitro-2-furanyl)-oxomethyl]amino]-3-thiophenecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(3,4-dimethylphenyl)-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethylphenyl)-2-[(5-nitro-2-furoyl)amino]thiophene-3-carboxylic acid isopropyl ester Formula: C21H20N2O6S MolecularWeight: 428.4583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=CSC(=C2C(=O)OC(C)C)NC(=O)C3=CC=C(O3)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=CSC(=C2C(=O)OC(C)C)NC(=O)C3=CC=C(O3)[N+](=O)[O-])C

InChI

InChI=1S/C21H20N2O6S/c1-11(2)28-21(25)18-15(14-6-5-12(3)13(4)9-14)10-30-20(18)22-19(24)16-7-8-17(29-16)23(26)27/h5-11H,1-4H3,(H,22,24)