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

Systemtic Name: ethyl 2-[[(2S)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoyl]amino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[[(2S)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[(2S)-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[[(2S)-2-(3,5-dimethyl-4-nitropyrazol-1-yl)propanoyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[(2S)-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)propanoyl]amino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H22N4O6S MolecularWeight: 422.45548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N4O6S/c1-7-28-18(25)13-8(2)15(12(6)23)29-17(13)19-16(24)11(5)21-10(4)14(22(26)27)9(3)20-21/h11H,7H2,1-6H3,(H,19,24)/t11-/m0/s1