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

Systemtic Name: phenacyl 2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: phenacyl 2-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]benzoic acid phenacyl ester IUPAC Name: phenacyl 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(2-furfurylamino)-2-keto-ethyl]thio]benzoic acid phenacyl ester Formula: C22H19NO5S MolecularWeight: 409.45496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)NCC3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C22H19NO5S/c24-19(16-7-2-1-3-8-16)14-28-22(26)18-10-4-5-11-20(18)29-15-21(25)23-13-17-9-6-12-27-17/h1-12H,13-15H2,(H,23,25)