ethyl 5-cyano-6-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-(2-indolin-1-yl-2-oxo-ethyl)sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[(2-indolin-1-yl-2-keto-ethyl)thio]-2-methyl-nicotinic acid ethyl ester Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)N2CCC3=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)N2CCC3=CC=CC=C32)C

InChI

InChI=1S/C20H19N3O3S/c1-3-26-20(25)16-10-15(11-21)19(22-13(16)2)27-12-18(24)23-9-8-14-6-4-5-7-17(14)23/h4-7,10H,3,8-9,12H2,1-2H3