2-(3a,4,5,6-tetrahydro-1H-perimidin-2-ylsulfanyl)ethanoic acid

Systemtic Name: 2-(3a,4,5,6-tetrahydro-1H-perimidin-2-ylsulfanyl)ethanoic acid Openeye Name: 2-(3a,4,5,6-tetrahydro-1H-perimidin-2-ylsulfanyl)acetic acid CAS Name: 2-(3a,4,5,6-tetrahydro-1H-perimidin-2-ylthio)acetic acid IUPAC Name: 2-(3a,4,5,6-tetrahydro-1H-perimidin-2-ylsulfanyl)acetic acid Traditional Name: 2-(3a,4,5,6-tetrahydro-1H-perimidin-2-ylthio)acetic acid Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C3=C(C1)C=CC=C3NC(=N2)SCC(=O)O

Isomeric SMILES

C1CC2C3=C(C1)C=CC=C3NC(=N2)SCC(=O)O

InChI

InChI=1S/C13H14N2O2S/c16-11(17)7-18-13-14-9-5-1-3-8-4-2-6-10(15-13)12(8)9/h1,3,5,10H,2,4,6-7H2,(H,14,15)(H,16,17)