(4-tert-butylphenyl)methyl 3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: (4-tert-butylphenyl)methyl 3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: (4-tert-butylphenyl)methyl 3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enoate CAS Name: 3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)-2-propenoic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate Traditional Name: 3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acrylic acid (4-tert-butylbenzyl) ester Formula: C27H26N2O2S MolecularWeight: 442.57254

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)C=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)C=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C27H26N2O2S/c1-27(2,3)22-14-11-20(12-15-22)19-31-25(30)16-13-21-18-29(23-8-5-4-6-9-23)28-26(21)24-10-7-17-32-24/h4-18H,19H2,1-3H3