(5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-1,2-oxazole-4-carboxylate

Systemtic Name: (5-azanyl-4-cyano-2-ethoxycarbonyl-thiophen-3-yl)methyl 3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-1,2-oxazole-4-carboxylate Openeye Name: (5-amino-4-cyano-2-ethoxycarbonyl-3-thienyl)methyl 3-(2-chloro-6-fluoro-phenyl)-5-methyl-isoxazole-4-carboxylate CAS Name: 3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarboxylic acid (5-amino-4-cyano-2-ethoxycarbonyl-3-thiophenyl)methyl ester IUPAC Name: (5-amino-4-cyano-2-ethoxycarbonylthiophen-3-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate Traditional Name: 3-(2-chloro-6-fluoro-phenyl)-5-methyl-isoxazole-4-carboxylic acid (5-amino-2-carbethoxy-4-cyano-3-thienyl)methyl ester Formula: C20H15ClFN3O5S MolecularWeight: 463.866603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)F)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=C(ON=C2C3=C(C=CC=C3Cl)F)C

InChI

InChI=1S/C20H15ClFN3O5S/c1-3-28-20(27)17-11(10(7-23)18(24)31-17)8-29-19(26)14-9(2)30-25-16(14)15-12(21)5-4-6-13(15)22/h4-6H,3,8,24H2,1-2H3