2-[(4-dimethylaminophenyl)methyl]-3-ethanoylsulfanyl-propanoic acid

Systemtic Name: 2-[(4-dimethylaminophenyl)methyl]-3-ethanoylsulfanyl-propanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-(4-dimethylaminophenyl)propanoic acid CAS Name: 2-[(acetylthio)methyl]-3-(4-dimethylaminophenyl)propanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-(4-dimethylaminophenyl)propanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-(4-dimethylaminophenyl)propionic acid Formula: C14H19NO3S MolecularWeight: 281.37056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO3S/c1-10(16)19-9-12(14(17)18)8-11-4-6-13(7-5-11)15(2)3/h4-7,12H,8-9H2,1-3H3,(H,17,18)