(2S)-1-(3-sulfanylpropanoyl)-2,3-dihydroindole-2-carboxylic acid

Systemtic Name: (2S)-1-(3-sulfanylpropanoyl)-2,3-dihydroindole-2-carboxylic acid Openeye Name: (2S)-1-(3-sulfanylpropanoyl)indoline-2-carboxylic acid CAS Name: (2S)-1-(3-mercapto-1-oxopropyl)-2,3-dihydroindole-2-carboxylic acid IUPAC Name: (2S)-1-(3-sulfanylpropanoyl)-2,3-dihydroindole-2-carboxylic acid Traditional Name: (2S)-1-(3-mercaptopropanoyl)indoline-2-carboxylic acid Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=CC=CC=C21)C(=O)CCS)C(=O)O

Isomeric SMILES

C1[C@H](N(C2=CC=CC=C21)C(=O)CCS)C(=O)O

InChI

InChI=1S/C12H13NO3S/c14-11(5-6-17)13-9-4-2-1-3-8(9)7-10(13)12(15)16/h1-4,10,17H,5-7H2,(H,15,16)/t10-/m0/s1