ethyl 4-cyano-5-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[[3-(3,4-dimethoxyphenyl)-1-oxopropyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCC2=CC(=C(C=C2)OC)OC)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCC2=CC(=C(C=C2)OC)OC)C#N)C

InChI

InChI=1S/C20H22N2O5S/c1-5-27-20(24)18-12(2)14(11-21)19(28-18)22-17(23)9-7-13-6-8-15(25-3)16(10-13)26-4/h6,8,10H,5,7,9H2,1-4H3,(H,22,23)