ethyl 5-cyano-2-methyl-6-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]sulfanyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[2-oxidanylidene-2-(3-phenylpropylamino)ethyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[2-oxo-2-(3-phenylpropylamino)ethyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-oxo-2-(3-phenylpropylamino)ethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[2-oxo-2-(3-phenylpropylamino)ethyl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-keto-2-(3-phenylpropylamino)ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NCCCC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NCCCC2=CC=CC=C2)C

InChI

InChI=1S/C21H23N3O3S/c1-3-27-21(26)18-12-17(13-22)20(24-15(18)2)28-14-19(25)23-11-7-10-16-8-5-4-6-9-16/h4-6,8-9,12H,3,7,10-11,14H2,1-2H3,(H,23,25)