methyl 2-[(E)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-enoyl]oxypropanoate

Systemtic Name: methyl 2-[(E)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-enoyl]oxypropanoate Openeye Name: methyl 2-[(E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enoyl]oxypropanoate CAS Name: 2-[(E)-1-oxo-3-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]prop-2-enoxy]propanoic acid methyl ester IUPAC Name: methyl 2-[(E)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoyl]oxypropanoate Traditional Name: 2-[(E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]acryloyl]oxypropionic acid methyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)OC(=O)C=CC1=CN(N=C1C2=CC=CS2)CC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)OC)OC(=O)/C=C/C1=CN(N=C1C2=CC=CS2)CC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O4S/c1-15(21(25)26-2)27-19(24)11-10-17-14-23(13-16-7-4-3-5-8-16)22-20(17)18-9-6-12-28-18/h3-12,14-15H,13H2,1-2H3/b11-10+