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

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(1,3-diphenyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)acryloyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C28H24N4O3S MolecularWeight: 496.58016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C(=CC2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)/C(=C/C2=CN(N=C2C3=CC=CC=C3)C4=CC=CC=C4)/C#N

InChI

InChI=1S/C28H24N4O3S/c1-4-35-28(34)24-18(2)19(3)36-27(24)30-26(33)21(16-29)15-22-17-32(23-13-9-6-10-14-23)31-25(22)20-11-7-5-8-12-20/h5-15,17H,4H2,1-3H3,(H,30,33)/b21-15+