(2S)-1-[(2S)-3-ethanoylsulfanyl-2-methyl-propanoyl]-2,3-dihydroindole-2-carboxylic acid

Systemtic Name: (2S)-1-[(2S)-3-ethanoylsulfanyl-2-methyl-propanoyl]-2,3-dihydroindole-2-carboxylic acid Openeye Name: (2S)-1-[(2S)-3-acetylsulfanyl-2-methyl-propanoyl]indoline-2-carboxylic acid CAS Name: (2S)-1-[(2S)-3-(acetylthio)-2-methyl-1-oxopropyl]-2,3-dihydroindole-2-carboxylic acid IUPAC Name: (2S)-1-[(2S)-3-acetylsulfanyl-2-methylpropanoyl]-2,3-dihydroindole-2-carboxylic acid Traditional Name: (2S)-1-[(2S)-3-(acetylthio)-2-methyl-propanoyl]indoline-2-carboxylic acid Formula: C15H17NO4S MolecularWeight: 307.36478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17NO4S/c1-9(8-21-10(2)17)14(18)16-12-6-4-3-5-11(12)7-13(16)15(19)20/h3-6,9,13H,7-8H2,1-2H3,(H,19,20)/t9-,13+/m1/s1