3-(carboxymethylsulfanyl)-4,6-bis(fluoranyl)-1H-indole-2-carboxylic acid

Systemtic Name: 3-(carboxymethylsulfanyl)-4,6-bis(fluoranyl)-1H-indole-2-carboxylic acid Openeye Name: 3-(carboxymethylsulfanyl)-4,6-difluoro-1H-indole-2-carboxylic acid CAS Name: 3-(carboxymethylthio)-4,6-difluoro-1H-indole-2-carboxylic acid IUPAC Name: 3-(carboxymethylsulfanyl)-4,6-difluoro-1H-indole-2-carboxylic acid Traditional Name: 3-(carboxymethylthio)-4,6-difluoro-1H-indole-2-carboxylic acid Formula: C11H7F2NO4S MolecularWeight: 287.239386

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C2C(=C1F)C(=C(N2)C(=O)O)SCC(=O)O)F

Isomeric SMILES

C1=C(C=C2C(=C1F)C(=C(N2)C(=O)O)SCC(=O)O)F

InChI

InChI=1S/C11H7F2NO4S/c12-4-1-5(13)8-6(2-4)14-9(11(17)18)10(8)19-3-7(15)16/h1-2,14H,3H2,(H,15,16)(H,17,18)