O2-ethyl O4-propan-2-yl 5-[(1-ethyl-4-nitro-pyrazol-3-yl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-propan-2-yl 5-[(1-ethyl-4-nitro-pyrazol-3-yl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-isopropyl 5-[(1-ethyl-4-nitro-pyrazole-3-carbonyl)amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(1-ethyl-4-nitro-3-pyrazolyl)-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid O2-ethyl ester O4-propan-2-yl ester IUPAC Name: 2-O-ethyl 4-O-propan-2-yl 5-[(1-ethyl-4-nitropyrazole-3-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(1-ethyl-4-nitro-pyrazole-3-carbonyl)amino]-3-methyl-thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-isopropyl ester Formula: C18H22N4O7S MolecularWeight: 438.45488

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)OC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O7S/c1-6-21-8-11(22(26)27)13(20-21)15(23)19-16-12(17(24)29-9(3)4)10(5)14(30-16)18(25)28-7-2/h8-9H,6-7H2,1-5H3,(H,19,23)