(3S)-3-acetamido-3-(2-acetyloxyphenyl)carbonylsulfanyl-propanoic acid

Systemtic Name: (3S)-3-acetamido-3-(2-acetyloxyphenyl)carbonylsulfanyl-propanoic acid Openeye Name: (3S)-3-acetamido-3-(2-acetoxybenzoyl)sulfanyl-propanoic acid CAS Name: (3S)-3-acetamido-3-[[(2-acetyloxyphenyl)-oxomethyl]thio]propanoic acid IUPAC Name: (3S)-3-acetamido-3-(2-acetyloxybenzoyl)sulfanylpropanoic acid Traditional Name: (3S)-3-acetamido-3-[(2-acetoxybenzoyl)thio]propionic acid Formula: C14H15NO6S MolecularWeight: 325.337

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)O)SC(=O)C1=CC=CC=C1OC(=O)C

Isomeric SMILES

CC(=O)N[C@H](CC(=O)O)SC(=O)C1=CC=CC=C1OC(=O)C

InChI

InChI=1S/C14H15NO6S/c1-8(16)15-12(7-13(18)19)22-14(20)10-5-3-4-6-11(10)21-9(2)17/h3-6,12H,7H2,1-2H3,(H,15,16)(H,18,19)/t12-/m0/s1