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

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(1,3-diphenyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)prop-2-enoyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(1,3-diphenylpyrazol-4-yl)acryloyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C32H24N4O3S MolecularWeight: 544.62296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(=CC3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)C#N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)/C(=C/C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5)/C#N

InChI

InChI=1S/C32H24N4O3S/c1-2-39-32(38)28-27(22-12-6-3-7-13-22)21-40-31(28)34-30(37)24(19-33)18-25-20-36(26-16-10-5-11-17-26)35-29(25)23-14-8-4-9-15-23/h3-18,20-21H,2H2,1H3,(H,34,37)/b24-18+