3-(2-oxidanylidenepropylsulfanyl)-1H-indole-2-carboxylic acid

Systemtic Name: 3-(2-oxidanylidenepropylsulfanyl)-1H-indole-2-carboxylic acid Openeye Name: 3-acetonylsulfanyl-1H-indole-2-carboxylic acid CAS Name: 3-(2-oxopropylthio)-1H-indole-2-carboxylic acid IUPAC Name: 3-(2-oxopropylsulfanyl)-1H-indole-2-carboxylic acid Traditional Name: 3-(acetonylthio)-1H-indole-2-carboxylic acid Formula: C12H11NO3S MolecularWeight: 249.28564

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=C(NC2=CC=CC=C21)C(=O)O

Isomeric SMILES

CC(=O)CSC1=C(NC2=CC=CC=C21)C(=O)O

InChI

InChI=1S/C12H11NO3S/c1-7(14)6-17-11-8-4-2-3-5-9(8)13-10(11)12(15)16/h2-5,13H,6H2,1H3,(H,15,16)