(3-cyanophenyl)methyl 2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (3-cyanophenyl)methyl 2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (3-cyanophenyl)methyl 2-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]benzoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(2-furfurylamino)-2-keto-ethyl]thio]benzoic acid (3-cyanobenzyl) ester Formula: C22H18N2O4S MolecularWeight: 406.45432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=CC=CC(=C2)C#N)SCC(=O)NCC3=CC=CO3

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=CC=CC(=C2)C#N)SCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C22H18N2O4S/c23-12-16-5-3-6-17(11-16)14-28-22(26)19-8-1-2-9-20(19)29-15-21(25)24-13-18-7-4-10-27-18/h1-11H,13-15H2,(H,24,25)