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

Systemtic Name: ethyl 4-cyano-5-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-oxopropyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H20N4O5S MolecularWeight: 440.4723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4O5S/c1-4-29-21(27)18-12(2)15(11-22)20(31-18)23-16(26)9-10-17-24-19(25-30-17)13-5-7-14(28-3)8-6-13/h5-8H,4,9-10H2,1-3H3,(H,23,26)