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

Systemtic Name: methyl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-[(5-nitrofuran-2-yl)carbonylamino]thiophene-3-carboxylate Openeye Name: methyl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate CAS Name: 5-[(2,4-dimethylanilino)-oxomethyl]-4-methyl-2-[[(5-nitro-2-furanyl)-oxomethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-[(5-nitrofuran-2-carbonyl)amino]thiophene-3-carboxylate Traditional Name: 5-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-2-[(5-nitro-2-furoyl)amino]thiophene-3-carboxylic acid methyl ester Formula: C21H19N3O7S MolecularWeight: 457.45646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)C2=C(C(=C(S2)NC(=O)C3=CC=C(O3)[N+](=O)[O-])C(=O)OC)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)C2=C(C(=C(S2)NC(=O)C3=CC=C(O3)[N+](=O)[O-])C(=O)OC)C)C

InChI

InChI=1S/C21H19N3O7S/c1-10-5-6-13(11(2)9-10)22-19(26)17-12(3)16(21(27)30-4)20(32-17)23-18(25)14-7-8-15(31-14)24(28)29/h5-9H,1-4H3,(H,22,26)(H,23,25)