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

Systemtic Name: ethyl 5-cyano-6-[2-[(2-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-[(2-methoxyphenyl)methylamino]-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-keto-2-(o-anisylamino)ethyl]thio]-2-methyl-nicotinic acid ethyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NCC2=CC=CC=C2OC)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)NCC2=CC=CC=C2OC)C

InChI

InChI=1S/C20H21N3O4S/c1-4-27-20(25)16-9-15(10-21)19(23-13(16)2)28-12-18(24)22-11-14-7-5-6-8-17(14)26-3/h5-9H,4,11-12H2,1-3H3,(H,22,24)