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

Systemtic Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxidanylidene-ethyl] 4-(5-methylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [2-[4-(2-acetamidoethyl)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-acetamidoethyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxoethyl] 4-(5-methylthiophen-2-yl)-4-oxobutanoate Traditional Name: 4-keto-4-(5-methyl-2-thienyl)butyric acid [2-[4-(2-acetamidoethyl)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)CCNC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5S/c1-14-3-9-20(28-14)18(24)8-10-21(26)27-13-19(25)17-6-4-16(5-7-17)11-12-22-15(2)23/h3-7,9H,8,10-13H2,1-2H3,(H,22,23)