1-cyanoethyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: 1-cyanoethyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 1-cyanoethyl 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]benzoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzoic acid 1-cyanoethyl ester Formula: C14H16N2O3S MolecularWeight: 292.35344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC=CC=C1SCC(=O)N(C)C

Isomeric SMILES

CC(C#N)OC(=O)C1=CC=CC=C1SCC(=O)N(C)C

InChI

InChI=1S/C14H16N2O3S/c1-10(8-15)19-14(18)11-6-4-5-7-12(11)20-9-13(17)16(2)3/h4-7,10H,9H2,1-3H3