2-[4-methyl-2-[1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-1,3-thiazol-5-yl]ethanoic acid

Systemtic Name: 2-[4-methyl-2-[1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[2-[2-(isobutylamino)-1-methyl-2-oxo-ethyl]sulfanyl-4-methyl-thiazol-5-yl]acetic acid CAS Name: 2-[4-methyl-2-[[1-(2-methylpropylamino)-1-oxopropan-2-yl]thio]-5-thiazolyl]acetic acid IUPAC Name: 2-[4-methyl-2-[1-(2-methylpropylamino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-[[2-(isobutylamino)-2-keto-1-methyl-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)SC(C)C(=O)NCC(C)C)CC(=O)O

Isomeric SMILES

CC1=C(SC(=N1)SC(C)C(=O)NCC(C)C)CC(=O)O

InChI

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