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

Systemtic Name: ethyl 5-cyano-6-[3-(2,3-dihydroindol-1-yl)-3-oxidanylidene-propyl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-(3-indolin-1-yl-3-oxo-propyl)sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[3-(2,3-dihydroindol-1-yl)-3-oxopropyl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[(3-indolin-1-yl-3-keto-propyl)thio]-2-methyl-nicotinic acid ethyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S/c1-3-27-21(26)17-12-16(13-22)20(23-14(17)2)28-11-9-19(25)24-10-8-15-6-4-5-7-18(15)24/h4-7,12H,3,8-11H2,1-2H3