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

Systemtic Name: (3-cyanophenyl)methyl 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Openeye Name: (3-cyanophenyl)methyl 2-[2-(isopropylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]benzoic acid (3-cyanobenzyl) ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)OCC2=CC=CC(=C2)C#N

Isomeric SMILES

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)OCC2=CC=CC(=C2)C#N

InChI

InChI=1S/C20H20N2O3S/c1-14(2)22-19(23)13-26-18-9-4-3-8-17(18)20(24)25-12-16-7-5-6-15(10-16)11-21/h3-10,14H,12-13H2,1-2H3,(H,22,23)