2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylethanoic acid

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]acetic acid Formula: C10H17NO3S MolecularWeight: 231.31188

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSCC(=O)O

Isomeric SMILES

C1CCCN(CC1)C(=O)CSCC(=O)O

InChI

InChI=1S/C10H17NO3S/c12-9(7-15-8-10(13)14)11-5-3-1-2-4-6-11/h1-8H2,(H,13,14)