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

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] (E)-3-[1-(phenylmethyl)pyrazol-4-yl]prop-2-enoate Openeye Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-[1-(phenylmethyl)-4-pyrazolyl]-2-propenoic acid [2-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] (E)-3-(1-benzylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1-benzylpyrazol-4-yl)acrylic acid [2-keto-2-(2-thenoylamino)ethyl] ester Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C=N2)C=CC(=O)OCC(=O)NC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C=N2)/C=C/C(=O)OCC(=O)NC(=O)C3=CC=CS3

InChI

InChI=1S/C20H17N3O4S/c24-18(22-20(26)17-7-4-10-28-17)14-27-19(25)9-8-16-11-21-23(13-16)12-15-5-2-1-3-6-15/h1-11,13H,12,14H2,(H,22,24,26)/b9-8+