2-[2-(cycloheptylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-(cycloheptylamino)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(cycloheptylamino)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(cycloheptylamino)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(cycloheptylamino)-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(cycloheptylamino)-2-keto-ethyl]thio]nicotinic acid Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

C1CCCC(CC1)NC(=O)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C15H20N2O3S/c18-13(17-11-6-3-1-2-4-7-11)10-21-14-12(15(19)20)8-5-9-16-14/h5,8-9,11H,1-4,6-7,10H2,(H,17,18)(H,19,20)