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

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

CCC(C)(C)NC(=O)CSC1=NC(=C(S1)CC(=O)O)C

Isomeric SMILES

CCC(C)(C)NC(=O)CSC1=NC(=C(S1)CC(=O)O)C

InChI

InChI=1S/C13H20N2O3S2/c1-5-13(3,4)15-10(16)7-19-12-14-8(2)9(20-12)6-11(17)18/h5-7H2,1-4H3,(H,15,16)(H,17,18)