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

Systemtic Name: ethyl 5-cyano-6-[2-[(3-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[2-[(3-methoxyphenyl)methylamino]-2-oxo-ethyl]sulfanyl-2-methyl-pyridine-3-carboxylate CAS Name: 5-cyano-6-[[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]thio]-2-methyl-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]sulfanyl-2-methylpyridine-3-carboxylate Traditional Name: 5-cyano-6-[[2-keto-2-(m-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=C2)OC)C

Isomeric SMILES

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

InChI

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