2-(ethanoylsulfanylmethyl)-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-(ethanoylsulfanylmethyl)-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-(acetylsulfanylmethyl)-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[(acetylthio)methyl]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-(acetylsulfanylmethyl)-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[(acetylthio)methyl]-3-(1H-indol-3-yl)propionic acid Formula: C14H15NO3S MolecularWeight: 277.3388

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CNC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CC(=O)SCC(CC1=CNC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C14H15NO3S/c1-9(16)19-8-11(14(17)18)6-10-7-15-13-5-3-2-4-12(10)13/h2-5,7,11,15H,6,8H2,1H3,(H,17,18)