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

Systemtic Name: ethyl (2R)-2-[[1-[(4-methoxyphenoxy)methyl]pyrazol-3-yl]carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[1-[(4-methoxyphenoxy)methyl]pyrazole-3-carbonyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-3-mercapto-2-[[[1-[(4-methoxyphenoxy)methyl]-3-pyrazolyl]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[1-[(4-methoxyphenoxy)methyl]pyrazole-3-carbonyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-3-mercapto-2-[[1-[(4-methoxyphenoxy)methyl]pyrazole-3-carbonyl]amino]propionic acid ethyl ester Formula: C17H21N3O5S MolecularWeight: 379.43074

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O5S/c1-3-24-17(22)15(10-26)18-16(21)14-8-9-20(19-14)11-25-13-6-4-12(23-2)5-7-13/h4-9,15,26H,3,10-11H2,1-2H3,(H,18,21)/t15-/m0/s1