cyanomethyl 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate

Systemtic Name: cyanomethyl 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Openeye Name: cyanomethyl 2-[2-(isopropylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]benzoic acid cyanomethyl ester Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)OCC#N

Isomeric SMILES

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)OCC#N

InChI

InChI=1S/C14H16N2O3S/c1-10(2)16-13(17)9-20-12-6-4-3-5-11(12)14(18)19-8-7-15/h3-6,10H,8-9H2,1-2H3,(H,16,17)