ethyl 5-[(E)-2-cyano-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[(E)-2-cyano-3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(E)-2-cyano-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(E)-2-cyano-1-oxo-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)prop-2-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-2-cyano-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(E)-2-cyano-3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acryloyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C26H22N4O3S MolecularWeight: 470.54288

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)/C(=C/C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)/C#N)C

InChI

InChI=1S/C26H22N4O3S/c1-4-33-26(32)22-16(2)23(28-17(22)3)25(31)18(14-27)13-19-15-30(20-9-6-5-7-10-20)29-24(19)21-11-8-12-34-21/h5-13,15,28H,4H2,1-3H3/b18-13+