dimethyl 5-[3-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[3-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[3-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-(3-methoxy-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[3-(3-methoxy-4-nitropyrazol-1-yl)propanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-(3-methoxy-4-nitro-pyrazol-1-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C16H18N4O8S MolecularWeight: 426.40112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCN2C=C(C(=N2)OC)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCN2C=C(C(=N2)OC)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C16H18N4O8S/c1-8-11(15(22)27-3)14(29-12(8)16(23)28-4)17-10(21)5-6-19-7-9(20(24)25)13(18-19)26-2/h7H,5-6H2,1-4H3,(H,17,21)