ethyl 5-cyano-6-[2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-[(4-dimethylaminophenyl)methylamino]-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-[[4-(dimethylamino)benzyl]amino]-2-keto-ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C21H24N4O3S MolecularWeight: 412.50526

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NCC2=CC=C(C=C2)N(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NCC2=CC=C(C=C2)N(C)C)C

InChI

InChI=1S/C21H24N4O3S/c1-5-28-21(27)18-10-16(11-22)20(24-14(18)2)29-13-19(26)23-12-15-6-8-17(9-7-15)25(3)4/h6-10H,5,12-13H2,1-4H3,(H,23,26)