ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-(pentanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-(pentanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-(pentanoylamino)thiophene-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-5-methyl-2-(1-oxopentylamino)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-(pentanoylamino)thiophene-3-carboxylate Traditional Name: 4-(3,4-dimethoxyphenyl)-5-methyl-2-(valerylamino)thiophene-3-carboxylic acid ethyl ester Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=C(C(=C(S1)C)C2=CC(=C(C=C2)OC)OC)C(=O)OCC

Isomeric SMILES

CCCCC(=O)NC1=C(C(=C(S1)C)C2=CC(=C(C=C2)OC)OC)C(=O)OCC

InChI

InChI=1S/C21H27NO5S/c1-6-8-9-17(23)22-20-19(21(24)27-7-2)18(13(3)28-20)14-10-11-15(25-4)16(12-14)26-5/h10-12H,6-9H2,1-5H3,(H,22,23)