2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(azepan-1-yl)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(1-azepanyl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(azepan-1-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(azepan-1-yl)-2-keto-ethyl]thio]nicotinic acid Formula: C14H18N2O3S MolecularWeight: 294.36932

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C14H18N2O3S/c17-12(16-8-3-1-2-4-9-16)10-20-13-11(14(18)19)6-5-7-15-13/h5-7H,1-4,8-10H2,(H,18,19)