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

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C25H24ClNO3S MolecularWeight: 453.98096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)COC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H24ClNO3S/c1-17(2)22-5-3-4-6-23(22)27-24(28)15-30-25(29)19-9-7-18(8-10-19)16-31-21-13-11-20(26)12-14-21/h3-14,17H,15-16H2,1-2H3,(H,27,28)