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

Systemtic Name: methyl (2S)-3-phenyl-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-phenyl-propanoate CAS Name: (2S)-2-[[oxo-[1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolyl]methyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(1-benzyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[1-benzyl-3-(2-thienyl)pyrazole-4-carbonyl]amino]-3-phenyl-propionic acid methyl ester Formula: C25H23N3O3S MolecularWeight: 445.53342

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C25H23N3O3S/c1-31-25(30)21(15-18-9-4-2-5-10-18)26-24(29)20-17-28(16-19-11-6-3-7-12-19)27-23(20)22-13-8-14-32-22/h2-14,17,21H,15-16H2,1H3,(H,26,29)/t21-/m0/s1