[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 3-[(4-chlorophenyl)sulfanylmethyl]benzoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 3-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 3-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 3-[[(4-chlorophenyl)thio]methyl]benzoic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 3-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 3-[[(4-chlorophenyl)thio]methyl]benzoic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C20H21ClN2O4S MolecularWeight: 420.90974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)CSC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)NC(=O)NC(=O)COC(=O)C1=CC(=CC=C1)CSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H21ClN2O4S/c1-13(2)22-20(26)23-18(24)11-27-19(25)15-5-3-4-14(10-15)12-28-17-8-6-16(21)7-9-17/h3-10,13H,11-12H2,1-2H3,(H2,22,23,24,26)