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

Systemtic Name: 2-[4-methyl-2-[1-oxidanylidene-1-(prop-2-ynylamino)propan-2-yl]sulfanyl-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[4-methyl-2-[1-methyl-2-oxo-2-(prop-2-ynylamino)ethyl]sulfanyl-thiazol-5-yl]acetic acid CAS Name: 2-[4-methyl-2-[[1-oxo-1-(prop-2-ynylamino)propan-2-yl]thio]-5-thiazolyl]acetic acid IUPAC Name: 2-[4-methyl-2-[1-oxo-1-(prop-2-ynylamino)propan-2-yl]sulfanyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-[[2-keto-1-methyl-2-(propargylamino)ethyl]thio]-4-methyl-thiazol-5-yl]acetic acid Formula: C12H14N2O3S2 MolecularWeight: 298.38116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O3S2/c1-4-5-13-11(17)8(3)18-12-14-7(2)9(19-12)6-10(15)16/h1,8H,5-6H2,2-3H3,(H,13,17)(H,15,16)