3-[4-(acetamidomethyl)phenyl]sulfanylpropanoic acid

Systemtic Name: 3-[4-(acetamidomethyl)phenyl]sulfanylpropanoic acid Openeye Name: 3-[4-(acetamidomethyl)phenyl]sulfanylpropanoic acid CAS Name: 3-[[4-(acetamidomethyl)phenyl]thio]propanoic acid IUPAC Name: 3-[4-(acetamidomethyl)phenyl]sulfanylpropanoic acid Traditional Name: 3-[[4-(acetamidomethyl)phenyl]thio]propionic acid Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(C=C1)SCCC(=O)O

Isomeric SMILES

CC(=O)NCC1=CC=C(C=C1)SCCC(=O)O

InChI

InChI=1S/C12H15NO3S/c1-9(14)13-8-10-2-4-11(5-3-10)17-7-6-12(15)16/h2-5H,6-8H2,1H3,(H,13,14)(H,15,16)