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

Systemtic Name: ethyl 2-[4-(4-chloranyl-5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[4-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[4-(4-chloro-5-methyl-3-nitro-1-pyrazolyl)-1-oxobutyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-chloro-5-methyl-3-nitropyrazol-1-yl)butanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[4-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)butanoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H21ClN4O5S MolecularWeight: 476.93324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN4O5S/c1-3-31-21(28)17-15(14-8-5-4-6-9-14)12-32-20(17)23-16(27)10-7-11-25-13(2)18(22)19(24-25)26(29)30/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,23,27)