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

Systemtic Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 4-(5-chloranylthiophen-2-yl)-4-oxidanylidene-butanoate Openeye Name: [2-[4-(2-methylpropanoylamino)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-methyl-1-oxopropyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 4-(5-chlorothiophen-2-yl)-4-oxobutanoate Traditional Name: 4-(5-chloro-2-thienyl)-4-keto-butyric acid [2-[4-(isobutyrylamino)phenyl]-2-keto-ethyl] ester Formula: C20H20ClNO5S MolecularWeight: 421.8945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClNO5S/c1-12(2)20(26)22-14-5-3-13(4-6-14)16(24)11-27-19(25)10-7-15(23)17-8-9-18(21)28-17/h3-6,8-9,12H,7,10-11H2,1-2H3,(H,22,26)