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

Systemtic Name: ethyl 5-cyano-2-methyl-6-[2-oxidanylidene-2-[[(2R)-2-phenylpropyl]amino]ethyl]sulfanyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]sulfanyl-pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]thio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[2-oxo-2-[[(2R)-2-phenylpropyl]amino]ethyl]sulfanylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-keto-2-[[(2R)-2-phenylpropyl]amino]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)NCC(C)C2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NC[C@H](C)C2=CC=CC=C2)C

InChI

InChI=1S/C21H23N3O3S/c1-4-27-21(26)18-10-17(11-22)20(24-15(18)3)28-13-19(25)23-12-14(2)16-8-6-5-7-9-16/h5-10,14H,4,12-13H2,1-3H3,(H,23,25)/t14-/m0/s1