2-[(3S)-2-oxidanylideneazepan-3-yl]sulfanylpyridine-3-carboxylate

Systemtic Name: 2-[(3S)-2-oxidanylideneazepan-3-yl]sulfanylpyridine-3-carboxylate Openeye Name: 2-[(3S)-2-oxoazepan-3-yl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[(3S)-2-oxo-3-azepanyl]thio]-3-pyridinecarboxylate IUPAC Name: 2-[(3S)-2-oxoazepan-3-yl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[(3S)-2-ketoazepan-3-yl]thio]nicotinate Formula: C12H13N2O3S- MolecularWeight: 265.30822

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)SC2=C(C=CC=N2)C(=O)[O-]

Isomeric SMILES

C1CCNC(=O)[C@H](C1)SC2=C(C=CC=N2)C(=O)[O-]

InChI

InChI=1S/C12H14N2O3S/c15-10-9(5-1-2-6-13-10)18-11-8(12(16)17)4-3-7-14-11/h3-4,7,9H,1-2,5-6H2,(H,13,15)(H,16,17)/p-1/t9-/m0/s1