ethyl 6-azanyl-2-[(4-chlorophenyl)sulfanylmethyl]-5-cyano-4-(2-fluorophenyl)-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-2-[(4-chlorophenyl)sulfanylmethyl]-5-cyano-4-(2-fluorophenyl)-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-2-[(4-chlorophenyl)sulfanylmethyl]-5-cyano-4-(2-fluorophenyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-2-[[(4-chlorophenyl)thio]methyl]-5-cyano-4-(2-fluorophenyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-2-[(4-chlorophenyl)sulfanylmethyl]-5-cyano-4-(2-fluorophenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-2-[[(4-chlorophenyl)thio]methyl]-5-cyano-4-(2-fluorophenyl)-4H-pyran-3-carboxylic acid ethyl ester Formula: C22H18ClFN2O3S MolecularWeight: 444.906323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2F)C#N)N)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2F)C#N)N)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H18ClFN2O3S/c1-2-28-22(27)20-18(12-30-14-9-7-13(23)8-10-14)29-21(26)16(11-25)19(20)15-5-3-4-6-17(15)24/h3-10,19H,2,12,26H2,1H3