ethyl (2R)-2-[(4-chloranyl-1H-pyrazol-5-yl)carbonylamino]-3-sulfanyl-propanoate

Systemtic Name: ethyl (2R)-2-[(4-chloranyl-1H-pyrazol-5-yl)carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[(4-chloro-1H-pyrazole-5-carbonyl)amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[(4-chloro-1H-pyrazol-5-yl)-oxomethyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(4-chloro-1H-pyrazole-5-carbonyl)amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[(4-chloro-1H-pyrazole-5-carbonyl)amino]-3-mercapto-propionic acid ethyl ester Formula: C9H12ClN3O3S MolecularWeight: 277.72788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)C1=C(C=NN1)Cl

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)C1=C(C=NN1)Cl

InChI

InChI=1S/C9H12ClN3O3S/c1-2-16-9(15)6(4-17)12-8(14)7-5(10)3-11-13-7/h3,6,17H,2,4H2,1H3,(H,11,13)(H,12,14)/t6-/m0/s1