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

Systemtic Name: ethyl (2R)-2-[[1-[(2-methylphenoxy)methyl]pyrazol-3-yl]carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[1-[(2-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-3-mercapto-2-[[[1-[(2-methylphenoxy)methyl]-3-pyrazolyl]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[1-[(2-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-3-mercapto-2-[[1-[(2-methylphenoxy)methyl]pyrazole-3-carbonyl]amino]propionic acid ethyl ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)C1=NN(C=C1)COC2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)C1=NN(C=C1)COC2=CC=CC=C2C

InChI

InChI=1S/C17H21N3O4S/c1-3-23-17(22)14(10-25)18-16(21)13-8-9-20(19-13)11-24-15-7-5-4-6-12(15)2/h4-9,14,25H,3,10-11H2,1-2H3,(H,18,21)/t14-/m0/s1