2-(2-oxidanylideneazepan-4-yl)sulfinylethanoic acid

Systemtic Name: 2-(2-oxidanylideneazepan-4-yl)sulfinylethanoic acid Openeye Name: 2-(2-oxoazepan-4-yl)sulfinylacetic acid CAS Name: 2-[(2-oxo-4-azepanyl)sulfinyl]acetic acid IUPAC Name: 2-(2-oxoazepan-4-yl)sulfinylacetic acid Traditional Name: 2-(2-ketoazepan-4-yl)sulfinylacetic acid Formula: C8H13NO4S MolecularWeight: 219.25812

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(=O)NC1)S(=O)CC(=O)O

Isomeric SMILES

C1CC(CC(=O)NC1)S(=O)CC(=O)O

InChI

InChI=1S/C8H13NO4S/c10-7-4-6(2-1-3-9-7)14(13)5-8(11)12/h6H,1-5H2,(H,9,10)(H,11,12)