ethyl 5-cyano-6-[1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[1-(1H-indol-3-yl)-1-oxopropan-2-yl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC(C)C(=O)C2=CNC3=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SC(C)C(=O)C2=CNC3=CC=CC=C32)C

InChI

InChI=1S/C21H19N3O3S/c1-4-27-21(26)16-9-14(10-22)20(24-12(16)2)28-13(3)19(25)17-11-23-18-8-6-5-7-15(17)18/h5-9,11,13,23H,4H2,1-3H3