[2-[4-(hexanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)sulfanylethanoate

Systemtic Name: [2-[4-(hexanoylamino)phenyl]-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)sulfanylethanoate Openeye Name: [2-[4-(hexanoylamino)phenyl]-2-oxo-ethyl] 2-(4-chlorophenyl)sulfanylacetate CAS Name: 2-[(4-chlorophenyl)thio]acetic acid [2-oxo-2-[4-(1-oxohexylamino)phenyl]ethyl] ester IUPAC Name: [2-[4-(hexanoylamino)phenyl]-2-oxoethyl] 2-(4-chlorophenyl)sulfanylacetate Traditional Name: 2-[(4-chlorophenyl)thio]acetic acid [2-[4-(caproylamino)phenyl]-2-keto-ethyl] ester Formula: C22H24ClNO4S MolecularWeight: 433.94826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CSC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)CSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C22H24ClNO4S/c1-2-3-4-5-21(26)24-18-10-6-16(7-11-18)20(25)14-28-22(27)15-29-19-12-8-17(23)9-13-19/h6-13H,2-5,14-15H2,1H3,(H,24,26)