ethyl 5-cyano-6-[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl]sulfanyl-pyridine-2-carboxylate

Systemtic Name: ethyl 5-cyano-6-[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxidanylidene-propan-2-yl]sulfanyl-pyridine-2-carboxylate Openeye Name: ethyl 5-cyano-6-[2-[2-(cyclohexen-1-yl)ethylamino]-1-methyl-2-oxo-ethyl]sulfanyl-pyridine-2-carboxylate CAS Name: 5-cyano-6-[[1-[2-(1-cyclohexenyl)ethylamino]-1-oxopropan-2-yl]thio]-2-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl]sulfanylpyridine-2-carboxylate Traditional Name: 5-cyano-6-[[2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-1-methyl-ethyl]thio]picolinic acid ethyl ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=C(C=C1)C#N)SC(C)C(=O)NCCC2=CCCCC2

Isomeric SMILES

CCOC(=O)C1=NC(=C(C=C1)C#N)SC(C)C(=O)NCCC2=CCCCC2

InChI

InChI=1S/C20H25N3O3S/c1-3-26-20(25)17-10-9-16(13-21)19(23-17)27-14(2)18(24)22-12-11-15-7-5-4-6-8-15/h7,9-10,14H,3-6,8,11-12H2,1-2H3,(H,22,24)