[2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 5-ethyl-4-methyl-thiophene-2-carboxylate

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 5-ethyl-4-methyl-thiophene-2-carboxylate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] 5-ethyl-4-methyl-thiophene-2-carboxylate CAS Name: 5-ethyl-4-methyl-2-thiophenecarboxylic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 5-ethyl-4-methylthiophene-2-carboxylate Traditional Name: 5-ethyl-4-methyl-thiophene-2-carboxylic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4S/c1-5-18-14(4)11-19(27-18)21(25)26-12-17(23)15-6-8-16(9-7-15)22-20(24)10-13(2)3/h6-9,11,13H,5,10,12H2,1-4H3,(H,22,24)