cyanomethyl 2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: cyanomethyl 2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: cyanomethyl 2-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(2-furfurylamino)-2-keto-ethyl]thio]benzoic acid cyanomethyl ester Formula: C16H14N2O4S MolecularWeight: 330.35836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC#N)SCC(=O)NCC2=CC=CO2

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC#N)SCC(=O)NCC2=CC=CO2

InChI

InChI=1S/C16H14N2O4S/c17-7-9-22-16(20)13-5-1-2-6-14(13)23-11-15(19)18-10-12-4-3-8-21-12/h1-6,8H,9-11H2,(H,18,19)