ethyl 6-[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate

Systemtic Name: ethyl 6-[2-[(4-tert-butylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 6-[2-(4-tert-butylanilino)-2-oxo-ethyl]sulfanyl-5-cyano-2-methyl-pyridine-3-carboxylate CAS Name: 6-[[2-(4-tert-butylanilino)-2-oxoethyl]thio]-5-cyano-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[2-(4-tert-butylanilino)-2-oxoethyl]sulfanyl-5-cyano-2-methylpyridine-3-carboxylate Traditional Name: 6-[[2-(4-tert-butylanilino)-2-keto-ethyl]thio]-5-cyano-2-methyl-nicotinic acid ethyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NC2=CC=C(C=C2)C(C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NC2=CC=C(C=C2)C(C)(C)C)C

InChI

InChI=1S/C22H25N3O3S/c1-6-28-21(27)18-11-15(12-23)20(24-14(18)2)29-13-19(26)25-17-9-7-16(8-10-17)22(3,4)5/h7-11H,6,13H2,1-5H3,(H,25,26)