[1-[4-(butanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 5-ethanoylthiophene-2-carboxylate

Systemtic Name: [1-[4-(butanoylamino)phenyl]-1-oxidanylidene-propan-2-yl] 5-ethanoylthiophene-2-carboxylate Openeye Name: [2-[4-(butanoylamino)phenyl]-1-methyl-2-oxo-ethyl] 5-acetylthiophene-2-carboxylate CAS Name: 5-acetyl-2-thiophenecarboxylic acid [1-oxo-1-[4-(1-oxobutylamino)phenyl]propan-2-yl] ester IUPAC Name: [1-[4-(butanoylamino)phenyl]-1-oxopropan-2-yl] 5-acetylthiophene-2-carboxylate Traditional Name: 5-acetylthiophene-2-carboxylic acid [2-(4-butyramidophenyl)-2-keto-1-methyl-ethyl] ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC=C(S2)C(=O)C

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)C(C)OC(=O)C2=CC=C(S2)C(=O)C

InChI

InChI=1S/C20H21NO5S/c1-4-5-18(23)21-15-8-6-14(7-9-15)19(24)13(3)26-20(25)17-11-10-16(27-17)12(2)22/h6-11,13H,4-5H2,1-3H3,(H,21,23)