methyl 4-[3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoyloxymethyl]benzoate

Systemtic Name: methyl 4-[3-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)prop-2-enoyloxymethyl]benzoate Openeye Name: methyl 4-[3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enoyloxymethyl]benzoate CAS Name: 4-[[1-oxo-3-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)prop-2-enoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoyloxymethyl]benzoate Traditional Name: 4-[[3-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]acryloyl]oxymethyl]benzoic acid methyl ester Formula: C25H20N2O4S MolecularWeight: 444.5023

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20N2O4S/c1-30-25(29)19-11-9-18(10-12-19)17-31-23(28)14-13-20-16-27(21-6-3-2-4-7-21)26-24(20)22-8-5-15-32-22/h2-16H,17H2,1H3