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

Systemtic Name: 2-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl]thio]nicotinic acid Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)CSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)CSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C16H20N2O3S/c19-14(17-10-8-12-5-2-1-3-6-12)11-22-15-13(16(20)21)7-4-9-18-15/h4-5,7,9H,1-3,6,8,10-11H2,(H,17,19)(H,20,21)