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

Systemtic Name: ethyl 6-azanyl-5-cyano-4-(4-methylsulfanylphenyl)-2-propyl-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-4-(4-methylsulfanylphenyl)-2-propyl-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-4-[4-(methylthio)phenyl]-2-propyl-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-4-(4-methylsulfanylphenyl)-2-propyl-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-4-[4-(methylthio)phenyl]-2-propyl-4H-pyran-3-carboxylic acid ethyl ester Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(C(=C(O1)N)C#N)C2=CC=C(C=C2)SC)C(=O)OCC

Isomeric SMILES

CCCC1=C(C(C(=C(O1)N)C#N)C2=CC=C(C=C2)SC)C(=O)OCC

InChI

InChI=1S/C19H22N2O3S/c1-4-6-15-17(19(22)23-5-2)16(14(11-20)18(21)24-15)12-7-9-13(25-3)10-8-12/h7-10,16H,4-6,21H2,1-3H3