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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1C(CC2=CC=CC=C21)C(=O)O)S

Isomeric SMILES

C[C@@H](C(=O)N1[C@@H](CC2=CC=CC=C21)C(=O)O)S

InChI

InChI=1S/C12H13NO3S/c1-7(17)11(14)13-9-5-3-2-4-8(9)6-10(13)12(15)16/h2-5,7,10,17H,6H2,1H3,(H,15,16)/t7-,10-/m0/s1