ethanoic acid; methyl (2R)-2-acetamido-3-sulfanyl-propanoate

Systemtic Name: ethanoic acid; methyl (2R)-2-acetamido-3-sulfanyl-propanoate Openeye Name: acetic acid; methyl (2R)-2-acetamido-3-sulfanyl-propanoate CAS Name: (2R)-2-acetamido-3-mercaptopropanoic acid methyl ester; acetic acid IUPAC Name: acetic acid; methyl (2R)-2-acetamido-3-sulfanylpropanoate Traditional Name: (2R)-2-acetamido-3-mercapto-propionic acid methyl ester; acetic acid Formula: C8H15NO5S MolecularWeight: 237.2734

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CS)C(=O)OC.CC(=O)O

Isomeric SMILES

CC(=O)N[C@@H](CS)C(=O)OC.CC(=O)O

InChI

InChI=1S/C6H11NO3S.C2H4O2/c1-4(8)7-5(3-11)6(9)10-2;1-2(3)4/h5,11H,3H2,1-2H3,(H,7,8);1H3,(H,3,4)/t5-;/m0./s1