1-(2-oxidanylidenepropyl)-2-sulfanyl-3H-indole-2-carboxylic acid

Systemtic Name: 1-(2-oxidanylidenepropyl)-2-sulfanyl-3H-indole-2-carboxylic acid Openeye Name: 1-acetonyl-2-sulfanyl-indoline-2-carboxylic acid CAS Name: 2-mercapto-1-(2-oxopropyl)-3H-indole-2-carboxylic acid IUPAC Name: 1-(2-oxopropyl)-2-sulfanyl-3H-indole-2-carboxylic acid Traditional Name: 1-acetonyl-2-mercapto-indoline-2-carboxylic acid Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CN1C2=CC=CC=C2CC1(C(=O)O)S

Isomeric SMILES

CC(=O)CN1C2=CC=CC=C2CC1(C(=O)O)S

InChI

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