[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 2-[2-(3-cyanoanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(3-cyanoanilino)-2-oxoethyl]thio]benzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(3-cyanoanilino)-2-keto-ethyl]thio]benzoic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC2=CC=CC(=C2)C#N

Isomeric SMILES

CC(C)NC(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC2=CC=CC(=C2)C#N

InChI

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