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

Systemtic Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxidanylidene-ethyl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxo-ethyl] 4-(5-chloro-2-thienyl)-4-oxo-butanoate CAS Name: 4-(5-chloro-2-thiophenyl)-4-oxobutanoic acid [2-[4-(2-acetamidoethyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-acetamidoethyl)phenyl]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-butyric acid [2-[4-(2-acetamidoethyl)phenyl]-2-keto-ethyl] ester Formula: C20H20ClNO5S MolecularWeight: 421.8945

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCC1=CC=C(C=C1)C(=O)COC(=O)CCC(=O)C2=CC=C(S2)Cl

Isomeric SMILES

CC(=O)NCCC1=CC=C(C=C1)C(=O)COC(=O)CCC(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C20H20ClNO5S/c1-13(23)22-11-10-14-2-4-15(5-3-14)17(25)12-27-20(26)9-6-16(24)18-7-8-19(21)28-18/h2-5,7-8H,6,9-12H2,1H3,(H,22,23)