ethyl 4-cyano-3-methyl-5-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[1-oxo-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]thiophene-2-carboxylate Traditional Name: 4-cyano-3-methyl-5-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoylamino]thiophene-2-carboxylic acid ethyl ester Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCC2=NC(=NO2)C3=CC=CC=C3)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCC2=NC(=NO2)C3=CC=CC=C3)C#N)C

InChI

InChI=1S/C20H18N4O4S/c1-3-27-20(26)17-12(2)14(11-21)19(29-17)22-15(25)9-10-16-23-18(24-28-16)13-7-5-4-6-8-13/h4-8H,3,9-10H2,1-2H3,(H,22,25)