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

Systemtic Name: 3-(2,3-dihydro-1H-indol-2-ylcarbonylsulfanyl)-2-methyl-propanoic acid Openeye Name: 3-(indoline-2-carbonylsulfanyl)-2-methyl-propanoic acid CAS Name: 3-[[2,3-dihydro-1H-indol-2-yl(oxo)methyl]thio]-2-methylpropanoic acid IUPAC Name: 3-(2,3-dihydro-1H-indole-2-carbonylsulfanyl)-2-methylpropanoic acid Traditional Name: 3-(indoline-2-carbonylthio)-2-methyl-propionic acid Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C1CC2=CC=CC=C2N1)C(=O)O

Isomeric SMILES

CC(CSC(=O)C1CC2=CC=CC=C2N1)C(=O)O

InChI

InChI=1S/C13H15NO3S/c1-8(12(15)16)7-18-13(17)11-6-9-4-2-3-5-10(9)14-11/h2-5,8,11,14H,6-7H2,1H3,(H,15,16)