[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 4-(4-chlorophenyl)sulfanylbutanoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 4-(4-chlorophenyl)sulfanylbutanoate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate CAS Name: 4-[(4-chlorophenyl)thio]butanoic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] 4-(4-chlorophenyl)sulfanylbutanoate Traditional Name: 4-[(4-chlorophenyl)thio]butyric acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C21H24ClNO3S MolecularWeight: 405.93816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)COC(=O)CCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)COC(=O)CCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C21H24ClNO3S/c1-15(2)18-6-3-4-7-19(18)23-20(24)14-26-21(25)8-5-13-27-17-11-9-16(22)10-12-17/h3-4,6-7,9-12,15H,5,8,13-14H2,1-2H3,(H,23,24)