[1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (E)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: [1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] (E)-3-[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]prop-2-enoate Openeye Name: [1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]-2-propenoic acid [1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(methylcarbamoylamino)-1-oxopropan-2-yl] (E)-3-(1-benzyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-[1-benzyl-3-(2-thienyl)pyrazol-4-yl]acrylic acid [2-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O4S/c1-15(21(28)24-22(29)23-2)30-19(27)11-10-17-14-26(13-16-7-4-3-5-8-16)25-20(17)18-9-6-12-31-18/h3-12,14-15H,13H2,1-2H3,(H2,23,24,28,29)/b11-10+