2-[(4E)-4-(1,3-dithiolan-2-ylimino)cyclohexa-1,5-dien-1-yl]-2-oxidanyl-ethanethioic S-acid

Systemtic Name: 2-[(4E)-4-(1,3-dithiolan-2-ylimino)cyclohexa-1,5-dien-1-yl]-2-oxidanyl-ethanethioic S-acid Openeye Name: 2-[(4E)-4-(1,3-dithiolan-2-ylimino)cyclohexa-1,5-dien-1-yl]-2-hydroxy-ethanethioic S-acid CAS Name: 2-[(4E)-4-(1,3-dithiolan-2-ylimino)-1-cyclohexa-1,5-dienyl]-2-hydroxyethanethioic S-acid IUPAC Name: 2-[(4E)-4-(1,3-dithiolan-2-ylimino)cyclohexa-1,5-dien-1-yl]-2-hydroxyethanethioic S-acid Traditional Name: 2-[(4E)-4-(1,3-dithiolan-2-ylimino)cyclohexa-1,5-dien-1-yl]-2-hydroxy-thioacetic acid Formula: C11H13NO2S3 MolecularWeight: 287.42142

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)N=C2CC=C(C=C2)C(C(=O)S)O

Isomeric SMILES

C1CSC(S1)/N=C/2\CC=C(C=C2)C(C(=O)S)O

InChI

InChI=1S/C11H13NO2S3/c13-9(10(14)15)7-1-3-8(4-2-7)12-11-16-5-6-17-11/h1-3,9,11,13H,4-6H2,(H,14,15)/b12-8-