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

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-2-cyano-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]prop-2-enoyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]-1-oxoprop-2-enyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]prop-2-enoyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]acryloyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C33H26N4O4S MolecularWeight: 574.64894

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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=C(C=C4)OC)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=C(C=C4)OC)C5=CC=CC=C5)/C#N

InChI

InChI=1S/C33H26N4O4S/c1-3-41-33(39)29-28(22-10-6-4-7-11-22)21-42-32(29)35-31(38)24(19-34)18-25-20-37(26-12-8-5-9-13-26)36-30(25)23-14-16-27(40-2)17-15-23/h4-18,20-21H,3H2,1-2H3,(H,35,38)/b24-18+