2-acetamido-3-(2,6-dimethylphenyl)carbonylsulfanyl-propanoic acid

Systemtic Name: 2-acetamido-3-(2,6-dimethylphenyl)carbonylsulfanyl-propanoic acid Openeye Name: 2-acetamido-3-(2,6-dimethylbenzoyl)sulfanyl-propanoic acid CAS Name: 2-acetamido-3-[[(2,6-dimethylphenyl)-oxomethyl]thio]propanoic acid IUPAC Name: 2-acetamido-3-(2,6-dimethylbenzoyl)sulfanylpropanoic acid Traditional Name: 2-acetamido-3-[(2,6-dimethylbenzoyl)thio]propionic acid Formula: C14H17NO4S MolecularWeight: 295.35408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)C(=O)SCC(C(=O)O)NC(=O)C

Isomeric SMILES

CC1=C(C(=CC=C1)C)C(=O)SCC(C(=O)O)NC(=O)C

InChI

InChI=1S/C14H17NO4S/c1-8-5-4-6-9(2)12(8)14(19)20-7-11(13(17)18)15-10(3)16/h4-6,11H,7H2,1-3H3,(H,15,16)(H,17,18)