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

Systemtic Name: 3-(2-oxidanylideneazepan-3-yl)sulfanylpropanoic acid Openeye Name: 3-(2-oxoazepan-3-yl)sulfanylpropanoic acid CAS Name: 3-[(2-oxo-3-azepanyl)thio]propanoic acid IUPAC Name: 3-(2-oxoazepan-3-yl)sulfanylpropanoic acid Traditional Name: 3-[(2-ketoazepan-3-yl)thio]propionic acid Formula: C9H15NO3S MolecularWeight: 217.2853

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SCCC(=O)O

Isomeric SMILES

C1CCNC(=O)C(C1)SCCC(=O)O

InChI

InChI=1S/C9H15NO3S/c11-8(12)4-6-14-7-3-1-2-5-10-9(7)13/h7H,1-6H2,(H,10,13)(H,11,12)