ethyl 2-[[5-nitro-2-(phenylmethyl)pyrazol-3-yl]carbonylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[5-nitro-2-(phenylmethyl)pyrazol-3-yl]carbonylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-benzyl-5-nitro-pyrazole-3-carbonyl)amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[5-nitro-2-(phenylmethyl)-3-pyrazolyl]-oxomethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-benzyl-5-nitropyrazole-3-carbonyl)amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(2-benzyl-5-nitro-pyrazole-3-carbonyl)amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H20N4O5S MolecularWeight: 476.5044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC(=NN3CC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3=CC(=NN3CC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H20N4O5S/c1-2-33-24(30)21-18(17-11-7-4-8-12-17)15-34-23(21)25-22(29)19-13-20(28(31)32)26-27(19)14-16-9-5-3-6-10-16/h3-13,15H,2,14H2,1H3,(H,25,29)