ethyl 2-[[(E)-2-cyano-3-[5-(3-nitrophenyl)-1H-pyrazol-4-yl]prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-[5-(3-nitrophenyl)-1H-pyrazol-4-yl]prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-2-cyano-3-[5-(3-nitrophenyl)-1H-pyrazol-4-yl]prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-[5-(3-nitrophenyl)-1H-pyrazol-4-yl]-1-oxoprop-2-enyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-[5-(3-nitrophenyl)-1H-pyrazol-4-yl]prop-2-enoyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-[5-(3-nitrophenyl)-1H-pyrazol-4-yl]acryloyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C26H19N5O5S MolecularWeight: 513.52456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(=CC3=C(NN=C3)C4=CC(=CC=C4)[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C26H19N5O5S/c1-2-36-26(33)22-21(16-7-4-3-5-8-16)15-37-25(22)29-24(32)18(13-27)11-19-14-28-30-23(19)17-9-6-10-20(12-17)31(34)35/h3-12,14-15H,2H2,1H3,(H,28,30)(H,29,32)/b18-11+