3-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]sulfanylpropanoate

Systemtic Name: 3-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]sulfanylpropanoate Openeye Name: 3-[(1S)-1-methyl-2-(2-methyl-1H-indol-3-yl)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]thio]propanoate IUPAC Name: 3-[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl]sulfanylpropanoate Traditional Name: 3-[[(1S)-2-keto-1-methyl-2-(2-methyl-1H-indol-3-yl)ethyl]thio]propionate Formula: C15H16NO3S- MolecularWeight: 290.35744

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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@H](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)/p-1/t10-/m0/s1