4-(2-oxidanylideneazepan-3-yl)sulfanylbenzoic acid

Systemtic Name: 4-(2-oxidanylideneazepan-3-yl)sulfanylbenzoic acid Openeye Name: 4-(2-oxoazepan-3-yl)sulfanylbenzoic acid CAS Name: 4-[(2-oxo-3-azepanyl)thio]benzoic acid IUPAC Name: 4-(2-oxoazepan-3-yl)sulfanylbenzoic acid Traditional Name: 4-[(2-ketoazepan-3-yl)thio]benzoic acid Formula: C13H15NO3S MolecularWeight: 265.3281

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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(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)