ethyl 3-cyano-6-methyl-2-[2-(phenylcarbamoylamino)phenyl]sulfanyl-pyridine-4-carboxylate

Systemtic Name: ethyl 3-cyano-6-methyl-2-[2-(phenylcarbamoylamino)phenyl]sulfanyl-pyridine-4-carboxylate Openeye Name: ethyl 3-cyano-6-methyl-2-[2-(phenylcarbamoylamino)phenyl]sulfanyl-pyridine-4-carboxylate CAS Name: 2-[[2-[[anilino(oxo)methyl]amino]phenyl]thio]-3-cyano-6-methyl-4-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-cyano-6-methyl-2-[2-(phenylcarbamoylamino)phenyl]sulfanylpyridine-4-carboxylate Traditional Name: 3-cyano-6-methyl-2-[[2-(phenylcarbamoylamino)phenyl]thio]isonicotinic acid ethyl ester Formula: C23H20N4O3S MolecularWeight: 432.4949

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=NC(=C1C#N)SC2=CC=CC=C2NC(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=CC(=NC(=C1C#N)SC2=CC=CC=C2NC(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C23H20N4O3S/c1-3-30-22(28)17-13-15(2)25-21(18(17)14-24)31-20-12-8-7-11-19(20)27-23(29)26-16-9-5-4-6-10-16/h4-13H,3H2,1-2H3,(H2,26,27,29)