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

Systemtic Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxidanylidene-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate Openeye Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxo-ethyl] 5-methyl-4-propyl-thiophene-2-carboxylate CAS Name: 5-methyl-4-propyl-2-thiophenecarboxylic acid [2-[4-[(3-methyl-1-oxobutyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-methylbutanoylamino)phenyl]-2-oxoethyl] 5-methyl-4-propylthiophene-2-carboxylate Traditional Name: 5-methyl-4-propyl-thiophene-2-carboxylic acid [2-[4-(isovalerylamino)phenyl]-2-keto-ethyl] ester Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(SC(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C)C

Isomeric SMILES

CCCC1=C(SC(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)CC(C)C)C

InChI

InChI=1S/C22H27NO4S/c1-5-6-17-12-20(28-15(17)4)22(26)27-13-19(24)16-7-9-18(10-8-16)23-21(25)11-14(2)3/h7-10,12,14H,5-6,11,13H2,1-4H3,(H,23,25)