ethyl 4,5-dimethyl-2-[[(2R)-2-methyl-3-(4-nitropyrazol-1-yl)propanoyl]amino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[[(2R)-2-methyl-3-(4-nitropyrazol-1-yl)propanoyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 4,5-dimethyl-2-[[(2R)-2-methyl-3-(4-nitropyrazol-1-yl)propanoyl]amino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[(2R)-2-methyl-3-(4-nitro-1-pyrazolyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4,5-dimethyl-2-[[(2R)-2-methyl-3-(4-nitropyrazol-1-yl)propanoyl]amino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[(2R)-2-methyl-3-(4-nitropyrazol-1-yl)propanoyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C16H20N4O5S MolecularWeight: 380.4188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(C)CN2C=C(C=N2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)[C@H](C)CN2C=C(C=N2)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O5S/c1-5-25-16(22)13-10(3)11(4)26-15(13)18-14(21)9(2)7-19-8-12(6-17-19)20(23)24/h6,8-9H,5,7H2,1-4H3,(H,18,21)/t9-/m1/s1