methyl 4-methyl-2-[1,2-thiazol-5-yl-[2,2,2-tris(chloranyl)ethoxycarbonyl]amino]pentanoate

Systemtic Name: methyl 4-methyl-2-[1,2-thiazol-5-yl-[2,2,2-tris(chloranyl)ethoxycarbonyl]amino]pentanoate Openeye Name: methyl 2-[isothiazol-5-yl(2,2,2-trichloroethoxycarbonyl)amino]-4-methyl-pentanoate CAS Name: 2-[5-isothiazolyl-[oxo(2,2,2-trichloroethoxy)methyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 4-methyl-2-[1,2-thiazol-5-yl(2,2,2-trichloroethoxycarbonyl)amino]pentanoate Traditional Name: 2-[isothiazol-5-yl(2,2,2-trichloroethoxycarbonyl)amino]-4-methyl-valeric acid methyl ester Formula: C13H17Cl3N2O4S MolecularWeight: 403.70908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)N(C1=CC=NS1)C(=O)OCC(Cl)(Cl)Cl

Isomeric SMILES

CC(C)CC(C(=O)OC)N(C1=CC=NS1)C(=O)OCC(Cl)(Cl)Cl

InChI

InChI=1S/C13H17Cl3N2O4S/c1-8(2)6-9(11(19)21-3)18(10-4-5-17-23-10)12(20)22-7-13(14,15)16/h4-5,8-9H,6-7H2,1-3H3