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

Systemtic Name: ethyl (2R)-2-[(4-chloranyl-1-ethyl-pyrazol-3-yl)carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[(4-chloro-1-ethyl-pyrazole-3-carbonyl)amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[(4-chloro-1-ethyl-3-pyrazolyl)-oxomethyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(4-chloro-1-ethylpyrazole-3-carbonyl)amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[(4-chloro-1-ethyl-pyrazole-3-carbonyl)amino]-3-mercapto-propionic acid ethyl ester Formula: C11H16ClN3O3S MolecularWeight: 305.78104

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NC(CS)C(=O)OCC)Cl

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)N[C@@H](CS)C(=O)OCC)Cl

InChI

InChI=1S/C11H16ClN3O3S/c1-3-15-5-7(12)9(14-15)10(16)13-8(6-19)11(17)18-4-2/h5,8,19H,3-4,6H2,1-2H3,(H,13,16)/t8-/m0/s1