ethyl (2R)-2-[[1-[(4-phenylphenoxy)methyl]pyrazol-3-yl]carbonylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-[[1-[(4-phenylphenoxy)methyl]pyrazol-3-yl]carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[1-[(4-phenylphenoxy)methyl]pyrazole-3-carbonyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-3-mercapto-2-[[oxo-[1-[(4-phenylphenoxy)methyl]-3-pyrazolyl]methyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[1-[(4-phenylphenoxy)methyl]pyrazole-3-carbonyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-3-mercapto-2-[[1-[(4-phenylphenoxy)methyl]pyrazole-3-carbonyl]amino]propionic acid ethyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)C1=NN(C=C1)COC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)C1=NN(C=C1)COC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O4S/c1-2-28-22(27)20(14-30)23-21(26)19-12-13-25(24-19)15-29-18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-13,20,30H,2,14-15H2,1H3,(H,23,26)/t20-/m0/s1