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

Systemtic Name: 2-[4-methyl-2-[1-(3-methylbutylamino)-1-oxidanylidene-propan-2-yl]sulfanyl-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[2-[2-(isopentylamino)-1-methyl-2-oxo-ethyl]sulfanyl-4-methyl-thiazol-5-yl]acetic acid CAS Name: 2-[4-methyl-2-[[1-(3-methylbutylamino)-1-oxopropan-2-yl]thio]-5-thiazolyl]acetic acid IUPAC Name: 2-[4-methyl-2-[1-(3-methylbutylamino)-1-oxopropan-2-yl]sulfanyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-[[2-(isoamylamino)-2-keto-1-methyl-ethyl]thio]-4-methyl-thiazol-5-yl]acetic acid Formula: C14H22N2O3S2 MolecularWeight: 330.46608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22N2O3S2/c1-8(2)5-6-15-13(19)10(4)20-14-16-9(3)11(21-14)7-12(17)18/h8,10H,5-7H2,1-4H3,(H,15,19)(H,17,18)