2-(1H-indol-3-ylsulfanyl)butanedioic acid

Systemtic Name: 2-(1H-indol-3-ylsulfanyl)butanedioic acid Openeye Name: 2-(1H-indol-3-ylsulfanyl)butanedioic acid CAS Name: 2-(1H-indol-3-ylthio)butanedioic acid IUPAC Name: 2-(1H-indol-3-ylsulfanyl)butanedioic acid Traditional Name: 2-(1H-indol-3-ylthio)succinic acid Formula: C12H11NO4S MolecularWeight: 265.28504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)SC(CC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)SC(CC(=O)O)C(=O)O

InChI

InChI=1S/C12H11NO4S/c14-11(15)5-9(12(16)17)18-10-6-13-8-4-2-1-3-7(8)10/h1-4,6,9,13H,5H2,(H,14,15)(H,16,17)