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

Systemtic Name: 2-[4-methyl-2-(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl)sulfanyl-1,3-thiazol-5-yl]ethanoic acid Openeye Name: 2-[4-methyl-2-(1-methyl-2-morpholino-2-oxo-ethyl)sulfanyl-thiazol-5-yl]acetic acid CAS Name: 2-[4-methyl-2-[[1-(4-morpholinyl)-1-oxopropan-2-yl]thio]-5-thiazolyl]acetic acid IUPAC Name: 2-[4-methyl-2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanyl-1,3-thiazol-5-yl]acetic acid Traditional Name: 2-[2-[(2-keto-1-methyl-2-morpholino-ethyl)thio]-4-methyl-thiazol-5-yl]acetic acid Formula: C13H18N2O4S2 MolecularWeight: 330.42302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SC(C)C(=O)N2CCOCC2)CC(=O)O

Isomeric SMILES

CC1=C(SC(=N1)SC(C)C(=O)N2CCOCC2)CC(=O)O

InChI

InChI=1S/C13H18N2O4S2/c1-8-10(7-11(16)17)21-13(14-8)20-9(2)12(18)15-3-5-19-6-4-15/h9H,3-7H2,1-2H3,(H,16,17)