ethyl 6-azanyl-5-cyano-2-ethyl-4-(4-methylsulfanylphenyl)-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-5-cyano-2-ethyl-4-(4-methylsulfanylphenyl)-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-2-ethyl-4-(4-methylsulfanylphenyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-ethyl-4-[4-(methylthio)phenyl]-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-2-ethyl-4-(4-methylsulfanylphenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-ethyl-4-[4-(methylthio)phenyl]-4H-pyran-3-carboxylic acid ethyl ester Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(C(=C(O1)N)C#N)C2=CC=C(C=C2)SC)C(=O)OCC

Isomeric SMILES

CCC1=C(C(C(=C(O1)N)C#N)C2=CC=C(C=C2)SC)C(=O)OCC

InChI

InChI=1S/C18H20N2O3S/c1-4-14-16(18(21)22-5-2)15(13(10-19)17(20)23-14)11-6-8-12(24-3)9-7-11/h6-9,15H,4-5,20H2,1-3H3