(2S)-2-[(1-ethanoyl-2,3-dihydroindol-5-yl)sulfanyl]propanoate

Systemtic Name: (2S)-2-[(1-ethanoyl-2,3-dihydroindol-5-yl)sulfanyl]propanoate Openeye Name: (2S)-2-(1-acetylindolin-5-yl)sulfanylpropanoate CAS Name: (2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)thio]propanoate IUPAC Name: (2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfanyl]propanoate Traditional Name: (2S)-2-[(1-acetylindolin-5-yl)thio]propionate Formula: C13H14NO3S- MolecularWeight: 264.32016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SC1=CC2=C(C=C1)N(CC2)C(=O)C

Isomeric SMILES

C[C@@H](C(=O)[O-])SC1=CC2=C(C=C1)N(CC2)C(=O)C

InChI

InChI=1S/C13H15NO3S/c1-8(13(16)17)18-11-3-4-12-10(7-11)5-6-14(12)9(2)15/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)/p-1/t8-/m0/s1