4-[(3S)-2-oxidanylideneazepan-3-yl]sulfanylbenzoate

Systemtic Name: 4-[(3S)-2-oxidanylideneazepan-3-yl]sulfanylbenzoate Openeye Name: 4-[(3S)-2-oxoazepan-3-yl]sulfanylbenzoate CAS Name: 4-[[(3S)-2-oxo-3-azepanyl]thio]benzoate IUPAC Name: 4-[(3S)-2-oxoazepan-3-yl]sulfanylbenzoate Traditional Name: 4-[[(3S)-2-ketoazepan-3-yl]thio]benzoate Formula: C13H14NO3S- MolecularWeight: 264.32016

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C1CCNC(=O)[C@H](C1)SC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C13H15NO3S/c15-12-11(3-1-2-8-14-12)18-10-6-4-9(5-7-10)13(16)17/h4-7,11H,1-3,8H2,(H,14,15)(H,16,17)/p-1/t11-/m0/s1