[2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] 3-(1-phenylpyrazol-4-yl)propanoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] 3-(1-phenylpyrazol-4-yl)propanoate Openeye Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 3-(1-phenylpyrazol-4-yl)propanoate CAS Name: 3-(1-phenyl-4-pyrazolyl)propanoic acid [2-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 3-(1-phenylpyrazol-4-yl)propanoate Traditional Name: 3-(1-phenylpyrazol-4-yl)propionic acid [2-keto-2-(2-thenoylamino)ethyl] ester Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)CCC(=O)OCC(=O)NC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)CCC(=O)OCC(=O)NC(=O)C3=CC=CS3

InChI

InChI=1S/C19H17N3O4S/c23-17(21-19(25)16-7-4-10-27-16)13-26-18(24)9-8-14-11-20-22(12-14)15-5-2-1-3-6-15/h1-7,10-12H,8-9,13H2,(H,21,23,25)