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

Systemtic Name: 2-[2-(1-azanyl-1-oxidanylidene-propan-2-yl)sulfanyl-4-methyl-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[2-(2-amino-1-methyl-2-oxo-ethyl)sulfanyl-4-methyl-thiazol-5-yl]acetic acid CAS Name: 2-[2-[(1-amino-1-oxopropan-2-yl)thio]-4-methyl-5-thiazolyl]acetic acid IUPAC Name: 2-[2-(1-amino-1-oxopropan-2-yl)sulfanyl-4-methyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-[(2-amino-2-keto-1-methyl-ethyl)thio]-4-methyl-thiazol-5-yl]acetic acid Formula: C9H12N2O3S2 MolecularWeight: 260.33318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H12N2O3S2/c1-4-6(3-7(12)13)16-9(11-4)15-5(2)8(10)14/h5H,3H2,1-2H3,(H2,10,14)(H,12,13)