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

Systemtic Name: ethyl 3-[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoylamino]-5-(4-methoxyphenyl)thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]-5-(4-methoxyphenyl)thiophene-2-carboxylate CAS Name: 3-[[2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-1-oxoethyl]amino]-5-(4-methoxyphenyl)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]amino]-5-(4-methoxyphenyl)thiophene-2-carboxylate Traditional Name: 3-[[2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetyl]amino]-5-(4-methoxyphenyl)thiophene-2-carboxylic acid ethyl ester Formula: C21H22N4O6S MolecularWeight: 458.48758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)OC)NC(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=C(C=C2)OC)NC(=O)CN3C(=C(C(=N3)C)[N+](=O)[O-])C

InChI

InChI=1S/C21H22N4O6S/c1-5-31-21(27)20-16(10-17(32-20)14-6-8-15(30-4)9-7-14)22-18(26)11-24-13(3)19(25(28)29)12(2)23-24/h6-10H,5,11H2,1-4H3,(H,22,26)