2-(1H-azepin-2-ylmethylsulfanyl)ethanoic acid

Systemtic Name: 2-(1H-azepin-2-ylmethylsulfanyl)ethanoic acid Openeye Name: 2-(1H-azepin-2-ylmethylsulfanyl)acetic acid CAS Name: 2-(1H-azepin-2-ylmethylthio)acetic acid IUPAC Name: 2-(1H-azepin-2-ylmethylsulfanyl)acetic acid Traditional Name: 2-(1H-azepin-2-ylmethylthio)acetic acid Formula: C9H11NO2S MolecularWeight: 197.25414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(NC=C1)CSCC(=O)O

Isomeric SMILES

C1=CC=C(NC=C1)CSCC(=O)O

InChI

InChI=1S/C9H11NO2S/c11-9(12)7-13-6-8-4-2-1-3-5-10-8/h1-5,10H,6-7H2,(H,11,12)