ethyl (2R)-2-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]carbonylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[[1-[(3,5-dimethyl-1-pyrazolyl)methyl]-3-pyrazolyl]-oxomethyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]pyrazole-3-carbonyl]amino]-3-mercapto-propionic acid ethyl ester Formula: C15H21N5O3S MolecularWeight: 351.42394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)C1=NN(C=C1)CN2C(=CC(=N2)C)C

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)C1=NN(C=C1)CN2C(=CC(=N2)C)C

InChI

InChI=1S/C15H21N5O3S/c1-4-23-15(22)13(8-24)16-14(21)12-5-6-19(18-12)9-20-11(3)7-10(2)17-20/h5-7,13,24H,4,8-9H2,1-3H3,(H,16,21)/t13-/m0/s1