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

Systemtic Name: ethyl (2R)-2-[[1-[(4-propan-2-ylphenoxy)methyl]pyrazol-3-yl]carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[1-[(4-isopropylphenoxy)methyl]pyrazole-3-carbonyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-3-mercapto-2-[[oxo-[1-[(4-propan-2-ylphenoxy)methyl]-3-pyrazolyl]methyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carbonyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[[1-[(4-isopropylphenoxy)methyl]pyrazole-3-carbonyl]amino]-3-mercapto-propionic acid ethyl ester Formula: C19H25N3O4S MolecularWeight: 391.4845

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O4S/c1-4-25-19(24)17(11-27)20-18(23)16-9-10-22(21-16)12-26-15-7-5-14(6-8-15)13(2)3/h5-10,13,17,27H,4,11-12H2,1-3H3,(H,20,23)/t17-/m0/s1