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

Systemtic Name: methyl 2-[[(E)-2-cyano-3-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)prop-2-enoyl]amino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[(E)-2-cyano-3-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)prop-2-enoyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(1-ethyl-3,5-dimethyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-2-cyano-3-(1-ethyl-3,5-dimethylpyrazol-4-yl)prop-2-enoyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(1-ethyl-3,5-dimethyl-pyrazol-4-yl)acryloyl]amino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)C=C(C#N)C(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)/C=C(\C#N)/C(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC)C

InChI

InChI=1S/C23H22N4O3S/c1-5-27-15(3)18(14(2)26-27)11-17(13-24)21(28)25-22-19(23(29)30-4)12-20(31-22)16-9-7-6-8-10-16/h6-12H,5H2,1-4H3,(H,25,28)/b17-11+