methyl (2S)-3-oxidanyl-2-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)carbonylamino]propanoate

Systemtic Name: methyl (2S)-3-oxidanyl-2-[(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)carbonylamino]propanoate Openeye Name: methyl (2S)-3-hydroxy-2-[[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]propanoate CAS Name: (2S)-3-hydroxy-2-[[oxo-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-hydroxy-2-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]propanoate Traditional Name: (2S)-3-hydroxy-2-[[1-phenyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]propionic acid methyl ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CO)NC(=O)C1=CN(N=C1C2=CC=CS2)C3=CC=CC=C3

InChI

InChI=1S/C18H17N3O4S/c1-25-18(24)14(11-22)19-17(23)13-10-21(12-6-3-2-4-7-12)20-16(13)15-8-5-9-26-15/h2-10,14,22H,11H2,1H3,(H,19,23)/t14-/m0/s1