2-[4-methyl-2-[2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-thiazol-5-yl]ethanoic acid

Systemtic Name: 2-[4-methyl-2-[2-(3-methylbutan-2-ylamino)-2-oxidanylidene-ethyl]sulfanyl-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[2-[2-(1,2-dimethylpropylamino)-2-oxo-ethyl]sulfanyl-4-methyl-thiazol-5-yl]acetic acid CAS Name: 2-[4-methyl-2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]thio]-5-thiazolyl]acetic acid IUPAC Name: 2-[4-methyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethyl]sulfanyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-[[2-(1,2-dimethylpropylamino)-2-keto-ethyl]thio]-4-methyl-thiazol-5-yl]acetic acid Formula: C13H20N2O3S2 MolecularWeight: 316.4395

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SCC(=O)NC(C)C(C)C)CC(=O)O

Isomeric SMILES

CC1=C(SC(=N1)SCC(=O)NC(C)C(C)C)CC(=O)O

InChI

InChI=1S/C13H20N2O3S2/c1-7(2)8(3)14-11(16)6-19-13-15-9(4)10(20-13)5-12(17)18/h7-8H,5-6H2,1-4H3,(H,14,16)(H,17,18)