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

Systemtic Name: methyl 4-(4-chlorophenyl)-5-methyl-2-[(5-nitrofuran-2-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-chlorophenyl)-5-methyl-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-chlorophenyl)-5-methyl-2-[[(5-nitro-2-furanyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-chlorophenyl)-5-methyl-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-chlorophenyl)-5-methyl-2-[(5-nitro-2-furoyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C18H13ClN2O6S MolecularWeight: 420.82362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C2=CC=C(O2)[N+](=O)[O-])C(=O)OC)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)C2=CC=C(O2)[N+](=O)[O-])C(=O)OC)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H13ClN2O6S/c1-9-14(10-3-5-11(19)6-4-10)15(18(23)26-2)17(28-9)20-16(22)12-7-8-13(27-12)21(24)25/h3-8H,1-2H3,(H,20,22)