(1-oxidanylidene-1-phenyl-propan-2-yl) 3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 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 (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 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 (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C25H20N2O3S MolecularWeight: 428.5029

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20N2O3S/c1-18(25(29)19-9-4-2-5-10-19)30-23(28)15-14-20-17-27(21-11-6-3-7-12-21)26-24(20)22-13-8-16-31-22/h2-18H,1H3