ethyl 4-(3,4-dimethoxyphenyl)-2-(hexanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(3,4-dimethoxyphenyl)-2-(hexanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(3,4-dimethoxyphenyl)-2-(hexanoylamino)thiophene-3-carboxylate CAS Name: 4-(3,4-dimethoxyphenyl)-2-(1-oxohexylamino)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,4-dimethoxyphenyl)-2-(hexanoylamino)thiophene-3-carboxylate Traditional Name: 2-(caproylamino)-4-(3,4-dimethoxyphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=C(C(=CS1)C2=CC(=C(C=C2)OC)OC)C(=O)OCC

Isomeric SMILES

CCCCCC(=O)NC1=C(C(=CS1)C2=CC(=C(C=C2)OC)OC)C(=O)OCC

InChI

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