[2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate

Systemtic Name: [2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [2-(4-acetamidophenyl)-2-oxo-ethyl] 4-(5-chloro-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-thiophenyl)-4-oxobutanoic acid [2-(4-acetamidophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidophenyl)-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-butyric acid [2-(4-acetamidophenyl)-2-keto-ethyl] ester Formula: C18H16ClNO5S MolecularWeight: 393.84134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CCC(=O)C2=CC=C(S2)Cl

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CCC(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C18H16ClNO5S/c1-11(21)20-13-4-2-12(3-5-13)15(23)10-25-18(24)9-6-14(22)16-7-8-17(19)26-16/h2-5,7-8H,6,9-10H2,1H3,(H,20,21)