3-[1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]sulfanylpropanoic acid

Systemtic Name: 3-[1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]sulfanylpropanoic acid Openeye Name: 3-[1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]thio]propanoic acid IUPAC Name: 3-[1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]sulfanylpropanoic acid Traditional Name: 3-[[2-keto-1-methyl-2-(2-methyl-1H-indol-3-yl)ethyl]thio]propionic acid Formula: C15H17NO3S MolecularWeight: 291.36538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)SCCC(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)SCCC(=O)O

InChI

InChI=1S/C15H17NO3S/c1-9-14(11-5-3-4-6-12(11)16-9)15(19)10(2)20-8-7-13(17)18/h3-6,10,16H,7-8H2,1-2H3,(H,17,18)