ethyl 2-[4-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[4-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[4-(5-methyl-3-nitro-1-pyrazolyl)-1-oxobutyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(5-methyl-3-nitropyrazol-1-yl)butanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[4-(5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCCN3C(=CC(=N3)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCCN3C(=CC(=N3)[N+](=O)[O-])C

InChI

InChI=1S/C21H22N4O5S/c1-3-30-21(27)19-16(15-8-5-4-6-9-15)13-31-20(19)22-18(26)10-7-11-24-14(2)12-17(23-24)25(28)29/h4-6,8-9,12-13H,3,7,10-11H2,1-2H3,(H,22,26)