3-(2,3-dihydro-1H-indol-2-ylcarbonylsulfanyl)propanoic acid

Systemtic Name: 3-(2,3-dihydro-1H-indol-2-ylcarbonylsulfanyl)propanoic acid Openeye Name: 3-(indoline-2-carbonylsulfanyl)propanoic acid CAS Name: 3-[[2,3-dihydro-1H-indol-2-yl(oxo)methyl]thio]propanoic acid IUPAC Name: 3-(2,3-dihydro-1H-indole-2-carbonylsulfanyl)propanoic acid Traditional Name: 3-(indoline-2-carbonylthio)propionic acid Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC2=CC=CC=C21)C(=O)SCCC(=O)O

Isomeric SMILES

C1C(NC2=CC=CC=C21)C(=O)SCCC(=O)O

InChI

InChI=1S/C12H13NO3S/c14-11(15)5-6-17-12(16)10-7-8-3-1-2-4-9(8)13-10/h1-4,10,13H,5-7H2,(H,14,15)