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

Systemtic Name: 2-[(4E)-4-(1,3-dithiolan-2-ylimino)cyclohexa-1,5-dien-1-yl]propanoic acid Openeye Name: 2-[(4E)-4-(1,3-dithiolan-2-ylimino)cyclohexa-1,5-dien-1-yl]propanoic acid CAS Name: 2-[(4E)-4-(1,3-dithiolan-2-ylimino)-1-cyclohexa-1,5-dienyl]propanoic acid IUPAC Name: 2-[(4E)-4-(1,3-dithiolan-2-ylimino)cyclohexa-1,5-dien-1-yl]propanoic acid Traditional Name: 2-[(4E)-4-(1,3-dithiolan-2-ylimino)cyclohexa-1,5-dien-1-yl]propionic acid Formula: C12H15NO2S2 MolecularWeight: 269.383

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CCC(=NC2SCCS2)C=C1)C(=O)O

Isomeric SMILES

CC(C1=CC/C(=N\C2SCCS2)/C=C1)C(=O)O

InChI

InChI=1S/C12H15NO2S2/c1-8(11(14)15)9-2-4-10(5-3-9)13-12-16-6-7-17-12/h2-4,8,12H,5-7H2,1H3,(H,14,15)/b13-10-