(2R)-2-acetamido-3-sulfanyl-propanoic acid; 5-methyl-1-phenyl-pyridin-2-one

Systemtic Name: (2R)-2-acetamido-3-sulfanyl-propanoic acid; 5-methyl-1-phenyl-pyridin-2-one Openeye Name: (2R)-2-acetamido-3-sulfanyl-propanoic acid; 5-methyl-1-phenyl-pyridin-2-one CAS Name: (2R)-2-acetamido-3-mercaptopropanoic acid; 5-methyl-1-phenyl-2-pyridinone IUPAC Name: (2R)-2-acetamido-3-sulfanylpropanoic acid; 5-methyl-1-phenylpyridin-2-one Traditional Name: (2R)-2-acetamido-3-mercapto-propionic acid; 5-methyl-1-phenyl-2-pyridone Formula: C17H20N2O4S MolecularWeight: 348.4167

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C(=O)C=C1)C2=CC=CC=C2.CC(=O)NC(CS)C(=O)O

Isomeric SMILES

CC1=CN(C(=O)C=C1)C2=CC=CC=C2.CC(=O)N[C@@H](CS)C(=O)O

InChI

InChI=1S/C12H11NO.C5H9NO3S/c1-10-7-8-12(14)13(9-10)11-5-3-2-4-6-11;1-3(7)6-4(2-10)5(8)9/h2-9H,1H3;4,10H,2H2,1H3,(H,6,7)(H,8,9)/t;4-/m.0/s1