ethyl 6-azanyl-5-cyano-2-[(4-methylphenyl)sulfanylmethyl]-4-pyridin-3-yl-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-5-cyano-2-[(4-methylphenyl)sulfanylmethyl]-4-pyridin-3-yl-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-2-(p-tolylsulfanylmethyl)-4-(3-pyridyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-[[(4-methylphenyl)thio]methyl]-4-(3-pyridinyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-2-[(4-methylphenyl)sulfanylmethyl]-4-pyridin-3-yl-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-[(p-tolylthio)methyl]-4-(3-pyridyl)-4H-pyran-3-carboxylic acid ethyl ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CN=CC=C2)C#N)N)CSC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CN=CC=C2)C#N)N)CSC3=CC=C(C=C3)C

InChI

InChI=1S/C22H21N3O3S/c1-3-27-22(26)20-18(13-29-16-8-6-14(2)7-9-16)28-21(24)17(11-23)19(20)15-5-4-10-25-12-15/h4-10,12,19H,3,13,24H2,1-2H3