ethyl 2-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate CAS Name: 2-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]-5-[(1R)-1-phenylethyl]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]-5-[(1R)-1-phenylethyl]thiophene-3-carboxylate Traditional Name: 2-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]-5-[(1R)-1-phenylethyl]thiophene-3-carboxylic acid ethyl ester Formula: C22H24N4O5S MolecularWeight: 456.51476

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)C(C)C2=CC=CC=C2)NC(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)[C@H](C)C2=CC=CC=C2)NC(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C22H24N4O5S/c1-5-31-22(28)17-11-18(13(2)16-9-7-6-8-10-16)32-21(17)23-19(27)12-25-15(4)20(26(29)30)14(3)24-25/h6-11,13H,5,12H2,1-4H3,(H,23,27)/t13-/m1/s1