ethyl 5-ethyl-2-(3-methylbutanoylamino)-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethyl-2-(3-methylbutanoylamino)-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-ethyl-2-(3-methylbutanoylamino)-4-phenyl-thiophene-3-carboxylate CAS Name: 5-ethyl-2-[(3-methyl-1-oxobutyl)amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-ethyl-2-(3-methylbutanoylamino)-4-phenylthiophene-3-carboxylate Traditional Name: 5-ethyl-2-(isovalerylamino)-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H25NO3S MolecularWeight: 359.4824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO3S/c1-5-15-17(14-10-8-7-9-11-14)18(20(23)24-6-2)19(25-15)21-16(22)12-13(3)4/h7-11,13H,5-6,12H2,1-4H3,(H,21,22)