(2-acetamido-1,3-thiazol-4-yl)methyl (E)-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl (E)-3-[3-phenyl-1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: (2-acetamidothiazol-4-yl)methyl (E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[3-phenyl-1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl (E)-3-(1-benzyl-3-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzyl-3-phenyl-pyrazol-4-yl)acrylic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)COC(=O)C=CC2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=NC(=CS1)COC(=O)/C=C/C2=CN(N=C2C3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H22N4O3S/c1-18(30)26-25-27-22(17-33-25)16-32-23(31)13-12-21-15-29(14-19-8-4-2-5-9-19)28-24(21)20-10-6-3-7-11-20/h2-13,15,17H,14,16H2,1H3,(H,26,27,30)/b13-12+