diethyl 5-[[(2S)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[[(2S)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[(2S)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(2S)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[(2S)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[(2S)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H24N4O7S MolecularWeight: 452.48146

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(C)N2C(=C(C(=N2)C)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)[C@H](C)N2C(=C(C(=N2)C)[N+](=O)[O-])C

InChI

InChI=1S/C19H24N4O7S/c1-7-29-18(25)13-9(3)15(19(26)30-8-2)31-17(13)20-16(24)12(6)22-11(5)14(23(27)28)10(4)21-22/h12H,7-8H2,1-6H3,(H,20,24)/t12-/m0/s1