(2S)-2-ethanoylsulfanyl-3-(4-methoxycarbonylphenyl)propanoic acid

Systemtic Name: (2S)-2-ethanoylsulfanyl-3-(4-methoxycarbonylphenyl)propanoic acid Openeye Name: (2S)-2-acetylsulfanyl-3-(4-methoxycarbonylphenyl)propanoic acid CAS Name: (2S)-2-(acetylthio)-3-(4-methoxycarbonylphenyl)propanoic acid IUPAC Name: (2S)-2-acetylsulfanyl-3-(4-methoxycarbonylphenyl)propanoic acid Traditional Name: (2S)-2-(acetylthio)-3-(4-carbomethoxyphenyl)propionic acid Formula: C13H14O5S MolecularWeight: 282.31226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CC1=CC=C(C=C1)C(=O)OC)C(=O)O

Isomeric SMILES

CC(=O)S[C@@H](CC1=CC=C(C=C1)C(=O)OC)C(=O)O

InChI

InChI=1S/C13H14O5S/c1-8(14)19-11(12(15)16)7-9-3-5-10(6-4-9)13(17)18-2/h3-6,11H,7H2,1-2H3,(H,15,16)/t11-/m0/s1