4-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: 4-[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 4-[2-(2-cyanoethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 4-[[2-(2-cyanoethylamino)-2-oxoethyl]thio]benzoate IUPAC Name: 4-[2-(2-cyanoethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 4-[[2-(2-cyanoethylamino)-2-keto-ethyl]thio]benzoate Formula: C12H11N2O3S- MolecularWeight: 263.29234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)[O-])SCC(=O)NCCC#N

Isomeric SMILES

C1=CC(=CC=C1C(=O)[O-])SCC(=O)NCCC#N

InChI

InChI=1S/C12H12N2O3S/c13-6-1-7-14-11(15)8-18-10-4-2-9(3-5-10)12(16)17/h2-5H,1,7-8H2,(H,14,15)(H,16,17)/p-1