O2-ethyl O4-propyl 3-methyl-5-[3-(3-nitropyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: O2-ethyl O4-propyl 3-methyl-5-[3-(3-nitropyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate Openeye Name: O2-ethyl O4-propyl 3-methyl-5-[3-(3-nitropyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[3-(3-nitro-1-pyrazolyl)-1-oxopropyl]amino]thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-propyl ester IUPAC Name: 2-O-ethyl 4-O-propyl 3-methyl-5-[3-(3-nitropyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[3-(3-nitropyrazol-1-yl)propanoylamino]thiophene-2,4-dicarboxylic acid O2-ethyl ester O4-propyl ester Formula: C18H22N4O7S MolecularWeight: 438.45488

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCN2C=CC(=N2)[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCN2C=CC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C18H22N4O7S/c1-4-10-29-17(24)14-11(3)15(18(25)28-5-2)30-16(14)19-13(23)7-9-21-8-6-12(20-21)22(26)27/h6,8H,4-5,7,9-10H2,1-3H3,(H,19,23)