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

Systemtic Name: methyl (2S)-3-oxidanyl-2-[[1-(phenylmethyl)-3-thiophen-2-yl-pyrazol-4-yl]carbonylamino]propanoate Openeye Name: methyl (2S)-2-[[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]-3-hydroxy-propanoate CAS Name: (2S)-3-hydroxy-2-[[oxo-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)C1=CN(N=C1C2=CC=CS2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H](CO)NC(=O)C1=CN(N=C1C2=CC=CS2)CC3=CC=CC=C3

InChI

InChI=1S/C19H19N3O4S/c1-26-19(25)15(12-23)20-18(24)14-11-22(10-13-6-3-2-4-7-13)21-17(14)16-8-5-9-27-16/h2-9,11,15,23H,10,12H2,1H3,(H,20,24)/t15-/m0/s1