(2R)-2-(1H-indol-3-ylsulfanyl)butanedioate

Systemtic Name: (2R)-2-(1H-indol-3-ylsulfanyl)butanedioate Openeye Name: (2R)-2-(1H-indol-3-ylsulfanyl)butanedioate CAS Name: (2R)-2-(1H-indol-3-ylthio)butanedioate IUPAC Name: (2R)-2-(1H-indol-3-ylsulfanyl)butanedioate Traditional Name: (2R)-2-(1H-indol-3-ylthio)succinate Formula: C12H9NO4S-2 MolecularWeight: 263.26916

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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)S[C@H](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)/p-2/t9-/m1/s1