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

Systemtic Name: ethyl (2R)-2-[2-(4-chloranyl-3,5-dimethyl-pyrazol-1-yl)butanoylamino]-3-sulfanyl-propanoate Openeye Name: ethyl (2R)-2-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)butanoylamino]-3-sulfanyl-propanoate CAS Name: (2R)-2-[[2-(4-chloro-3,5-dimethyl-1-pyrazolyl)-1-oxobutyl]amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)butanoylamino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[2-(4-chloro-3,5-dimethyl-pyrazol-1-yl)butanoylamino]-3-mercapto-propionic acid ethyl ester Formula: C14H22ClN3O3S MolecularWeight: 347.86078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(CS)C(=O)OCC)N1C(=C(C(=N1)C)Cl)C

Isomeric SMILES

CCC(C(=O)N[C@@H](CS)C(=O)OCC)N1C(=C(C(=N1)C)Cl)C

InChI

InChI=1S/C14H22ClN3O3S/c1-5-11(18-9(4)12(15)8(3)17-18)13(19)16-10(7-22)14(20)21-6-2/h10-11,22H,5-7H2,1-4H3,(H,16,19)/t10-,11?/m0/s1