[2-[4-(2-methylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxo-ethyl] 4-(5-methyl-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-methyl-2-thiophenyl)-4-oxobutanoic acid [2-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate Traditional Name: 4-keto-4-(5-methyl-2-thienyl)butyric acid [2-[4-(isobutyrylamino)phenyl]-2-keto-ethyl] ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)C(C)C

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCC(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)C(C)C

InChI

InChI=1S/C21H23NO5S/c1-13(2)21(26)22-16-7-5-15(6-8-16)18(24)12-27-20(25)11-9-17(23)19-10-4-14(3)28-19/h4-8,10,13H,9,11-12H2,1-3H3,(H,22,26)