dimethyl 3-methyl-5-[[5-[(4-nitropyrazol-1-yl)methyl]furan-2-yl]carbonylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[[5-[(4-nitropyrazol-1-yl)methyl]furan-2-yl]carbonylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[[5-[(4-nitropyrazol-1-yl)methyl]furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[5-[(4-nitro-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[[5-[(4-nitropyrazol-1-yl)methyl]furan-2-carbonyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[5-[(4-nitropyrazol-1-yl)methyl]-2-furoyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H16N4O8S MolecularWeight: 448.40664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(O2)CN3C=C(C=N3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(O2)CN3C=C(C=N3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H16N4O8S/c1-9-13(17(24)28-2)16(31-14(9)18(25)29-3)20-15(23)12-5-4-11(30-12)8-21-7-10(6-19-21)22(26)27/h4-7H,8H2,1-3H3,(H,20,23)