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

Systemtic Name: ethyl (2R)-2-[(4-chloranyl-1,5-dimethyl-pyrazol-3-yl)carbonylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[(4-chloro-1,5-dimethyl-pyrazole-3-carbonyl)amino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[(4-chloro-1,5-dimethyl-3-pyrazolyl)-oxomethyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(4-chloro-1,5-dimethylpyrazole-3-carbonyl)amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[(4-chloro-1,5-dimethyl-pyrazole-3-carbonyl)amino]-3-mercapto-propionic acid ethyl ester Formula: C11H16ClN3O3S MolecularWeight: 305.78104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)C1=NN(C(=C1Cl)C)C

Isomeric SMILES

CCOC(=O)[C@H](CS)NC(=O)C1=NN(C(=C1Cl)C)C

InChI

InChI=1S/C11H16ClN3O3S/c1-4-18-11(17)7(5-19)13-10(16)9-8(12)6(2)15(3)14-9/h7,19H,4-5H2,1-3H3,(H,13,16)/t7-/m0/s1