[2-(4-butylphenyl)-2-oxidanylidene-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: [2-(4-butylphenyl)-2-oxidanylidene-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: [2-(4-butylphenyl)-2-oxo-ethyl] 2-acetamido-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-acetamido-4,5-dimethyl-3-thiophenecarboxylic acid [2-(4-butylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-butylphenyl)-2-oxoethyl] 2-acetamido-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-acetamido-4,5-dimethyl-thiophene-3-carboxylic acid [2-(4-butylphenyl)-2-keto-ethyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=C(SC(=C2C)C)NC(=O)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)COC(=O)C2=C(SC(=C2C)C)NC(=O)C

InChI

InChI=1S/C21H25NO4S/c1-5-6-7-16-8-10-17(11-9-16)18(24)12-26-21(25)19-13(2)14(3)27-20(19)22-15(4)23/h8-11H,5-7,12H2,1-4H3,(H,22,23)