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

Systemtic Name: methyl 6-azanyl-5-cyano-2-methyl-4-(4-methylsulfanylphenyl)-4H-pyran-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C16H16N2O3S MolecularWeight: 316.37484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(O1)N)C#N)C2=CC=C(C=C2)SC)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(O1)N)C#N)C2=CC=C(C=C2)SC)C(=O)OC

InChI

InChI=1S/C16H16N2O3S/c1-9-13(16(19)20-2)14(12(8-17)15(18)21-9)10-4-6-11(22-3)7-5-10/h4-7,14H,18H2,1-3H3