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

Systemtic Name: ethyl 6-azanyl-5-cyano-2-methyl-4-(4-methylsulfanylphenyl)-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-2-methyl-4-(4-methylsulfanylphenyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-methyl-4-[4-(methylthio)phenyl]-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-2-methyl-4-(4-methylsulfanylphenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-methyl-4-[4-(methylthio)phenyl]-4H-pyran-3-carboxylic acid ethyl ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)SC)C#N)N)C

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC=C(C=C2)SC)C#N)N)C

InChI

InChI=1S/C17H18N2O3S/c1-4-21-17(20)14-10(2)22-16(19)13(9-18)15(14)11-5-7-12(23-3)8-6-11/h5-8,15H,4,19H2,1-3H3