ethyl 6-azanyl-5-cyano-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]-4-(2-fluorophenyl)-4H-pyran-3-carboxylate

Systemtic Name: ethyl 6-azanyl-5-cyano-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]-4-(2-fluorophenyl)-4H-pyran-3-carboxylate Openeye Name: ethyl 6-amino-5-cyano-2-[(4,5-diphenyloxazol-2-yl)sulfanylmethyl]-4-(2-fluorophenyl)-4H-pyran-3-carboxylate CAS Name: 6-amino-5-cyano-2-[[(4,5-diphenyl-2-oxazolyl)thio]methyl]-4-(2-fluorophenyl)-4H-pyran-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-amino-5-cyano-2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanylmethyl]-4-(2-fluorophenyl)-4H-pyran-3-carboxylate Traditional Name: 6-amino-5-cyano-2-[[(4,5-diphenyloxazol-2-yl)thio]methyl]-4-(2-fluorophenyl)-4H-pyran-3-carboxylic acid ethyl ester Formula: C31H24FN3O4S MolecularWeight: 553.603363

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2F)C#N)N)CSC3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2F)C#N)N)CSC3=NC(=C(O3)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H24FN3O4S/c1-2-37-30(36)26-24(38-29(34)22(17-33)25(26)21-15-9-10-16-23(21)32)18-40-31-35-27(19-11-5-3-6-12-19)28(39-31)20-13-7-4-8-14-20/h3-16,25H,2,18,34H2,1H3