(2S)-2-acetamido-6-[4-methyl-5-(2-methylsulfonyloxyethyl)-2-sulfanylidene-1,3-thiazol-3-yl]hexanoic acid

Systemtic Name: (2S)-2-acetamido-6-[4-methyl-5-(2-methylsulfonyloxyethyl)-2-sulfanylidene-1,3-thiazol-3-yl]hexanoic acid Openeye Name: (2S)-2-acetamido-6-[4-methyl-5-(2-methylsulfonyloxyethyl)-2-thioxo-thiazol-3-yl]hexanoic acid CAS Name: (2S)-2-acetamido-6-[4-methyl-5-(2-methylsulfonyloxyethyl)-2-sulfanylidene-3-thiazolyl]hexanoic acid IUPAC Name: (2S)-2-acetamido-6-[4-methyl-5-(2-methylsulfonyloxyethyl)-2-sulfanylidene-1,3-thiazol-3-yl]hexanoic acid Traditional Name: (2S)-2-acetamido-6-[4-methyl-5-(2-methylsulfonyloxyethyl)-2-thioxo-4-thiazolin-3-yl]hexanoic acid Formula: C15H24N2O6S3 MolecularWeight: 424.55586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=S)N1CCCCC(C(=O)O)NC(=O)C)CCOS(=O)(=O)C

Isomeric SMILES

CC1=C(SC(=S)N1CCCC[C@@H](C(=O)O)NC(=O)C)CCOS(=O)(=O)C

InChI

InChI=1S/C15H24N2O6S3/c1-10-13(7-9-23-26(3,21)22)25-15(24)17(10)8-5-4-6-12(14(19)20)16-11(2)18/h12H,4-9H2,1-3H3,(H,16,18)(H,19,20)/t12-/m0/s1