(4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)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-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)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-butyl-2,6-dimethyl-benzyl) ester Formula: C29H30N2O2S MolecularWeight: 470.6257

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C)C(C)(C)C

InChI

InChI=1S/C29H30N2O2S/c1-20-16-23(29(3,4)5)17-21(2)25(20)19-33-27(32)14-13-22-18-31(24-10-7-6-8-11-24)30-28(22)26-12-9-15-34-26/h6-18H,19H2,1-5H3