ethyl 2-[3-(4-ethoxy-3-methoxy-phenyl)propanoylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[3-(4-ethoxy-3-methoxy-phenyl)propanoylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[3-(4-ethoxy-3-methoxy-phenyl)propanoylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[3-(4-ethoxy-3-methoxyphenyl)-1-oxopropyl]amino]-5-ethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-ethoxy-3-methoxyphenyl)propanoylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[3-(4-ethoxy-3-methoxy-phenyl)propanoylamino]-5-ethyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CCC2=CC(=C(C=C2)OCC)OC)C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CCC2=CC(=C(C=C2)OCC)OC)C(=O)OCC

InChI

InChI=1S/C21H27NO5S/c1-5-15-13-16(21(24)27-7-3)20(28-15)22-19(23)11-9-14-8-10-17(26-6-2)18(12-14)25-4/h8,10,12-13H,5-7,9,11H2,1-4H3,(H,22,23)