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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])SC1CCCCNC1=O

Isomeric SMILES

C[C@@H](C(=O)[O-])S[C@H]1CCCCNC1=O

InChI

InChI=1S/C9H15NO3S/c1-6(9(12)13)14-7-4-2-3-5-10-8(7)11/h6-7H,2-5H2,1H3,(H,10,11)(H,12,13)/p-1/t6-,7-/m0/s1