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

Systemtic Name: ethyl 6-azanyl-5-cyano-4-(furan-3-yl)-2-[(4-methylphenyl)sulfanylmethyl]-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-4-(3-furyl)-2-(p-tolylsulfanylmethyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-4-(3-furanyl)-2-[[(4-methylphenyl)thio]methyl]-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-4-(furan-3-yl)-2-[(4-methylphenyl)sulfanylmethyl]-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-4-(3-furyl)-2-[(p-tolylthio)methyl]-4H-pyran-3-carboxylic acid ethyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O4S/c1-3-26-21(24)19-17(12-28-15-6-4-13(2)5-7-15)27-20(23)16(10-22)18(19)14-8-9-25-11-14/h4-9,11,18H,3,12,23H2,1-2H3