propan-2-yl 2-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: propan-2-yl 2-[(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)sulfonylamino]-4-methylsulfanyl-butanoate Openeye Name: isopropyl 2-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonylamino]-4-methylsulfanyl-butanoate CAS Name: 2-[(5-chloro-1,3-dimethyl-4-pyrazolyl)sulfonylamino]-4-(methylthio)butanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[(5-chloro-1,3-dimethyl-pyrazol-4-yl)sulfonylamino]-4-(methylthio)butyric acid isopropyl ester Formula: C13H22ClN3O4S2 MolecularWeight: 383.91448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)NC(CCSC)C(=O)OC(C)C)Cl)C

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)NC(CCSC)C(=O)OC(C)C)Cl)C

InChI

InChI=1S/C13H22ClN3O4S2/c1-8(2)21-13(18)10(6-7-22-5)16-23(19,20)11-9(3)15-17(4)12(11)14/h8,10,16H,6-7H2,1-5H3