3-[(3S)-2-oxidanylideneazepan-3-yl]sulfanylpropanoate

Systemtic Name: 3-[(3S)-2-oxidanylideneazepan-3-yl]sulfanylpropanoate Openeye Name: 3-[(3S)-2-oxoazepan-3-yl]sulfanylpropanoate CAS Name: 3-[[(3S)-2-oxo-3-azepanyl]thio]propanoate IUPAC Name: 3-[(3S)-2-oxoazepan-3-yl]sulfanylpropanoate Traditional Name: 3-[[(3S)-2-ketoazepan-3-yl]thio]propionate Formula: C9H14NO3S- MolecularWeight: 216.27736

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SCCC(=O)[O-]

Isomeric SMILES

C1CCNC(=O)[C@H](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)/p-1/t7-/m0/s1