2-(2-oxidanylideneazepan-3-yl)sulfinylethanoic acid

Systemtic Name: 2-(2-oxidanylideneazepan-3-yl)sulfinylethanoic acid Openeye Name: 2-(2-oxoazepan-3-yl)sulfinylacetic acid CAS Name: 2-[(2-oxo-3-azepanyl)sulfinyl]acetic acid IUPAC Name: 2-(2-oxoazepan-3-yl)sulfinylacetic acid Traditional Name: 2-(2-ketoazepan-3-yl)sulfinylacetic acid Formula: C8H13NO4S MolecularWeight: 219.25812

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)S(=O)CC(=O)O

Isomeric SMILES

C1CCNC(=O)C(C1)S(=O)CC(=O)O

InChI

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