[2-oxidanylidene-2-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]amino]ethyl] 2-(2-cyanophenyl)sulfanylbenzoate

Systemtic Name: [2-oxidanylidene-2-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]amino]ethyl] 2-(2-cyanophenyl)sulfanylbenzoate Openeye Name: [2-[[2-(isopropylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 2-(2-cyanophenyl)sulfanylbenzoate CAS Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 2-(2-cyanophenyl)sulfanylbenzoate Traditional Name: 2-[(2-cyanophenyl)thio]benzoic acid [2-[[2-(isopropylamino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CNC(=O)COC(=O)C1=CC=CC=C1SC2=CC=CC=C2C#N

Isomeric SMILES

CC(C)NC(=O)CNC(=O)COC(=O)C1=CC=CC=C1SC2=CC=CC=C2C#N

InChI

InChI=1S/C21H21N3O4S/c1-14(2)24-19(25)12-23-20(26)13-28-21(27)16-8-4-6-10-18(16)29-17-9-5-3-7-15(17)11-22/h3-10,14H,12-13H2,1-2H3,(H,23,26)(H,24,25)