[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2-(furan-2-ylmethylamino)benzoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2-(furan-2-ylmethylamino)benzoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-(2-furylmethylamino)benzoate CAS Name: 2-(2-furanylmethylamino)benzoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-(furan-2-ylmethylamino)benzoate Traditional Name: 2-(2-furfurylamino)benzoic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C22H22N2O4S MolecularWeight: 410.48608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC=CC=C2NCC3=CC=CO3

Isomeric SMILES

C1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC=CC=C2NCC3=CC=CO3

InChI

InChI=1S/C22H22N2O4S/c25-21(23-12-14-29-18-8-2-1-3-9-18)16-28-22(26)19-10-4-5-11-20(19)24-15-17-7-6-13-27-17/h1-11,13,24H,12,14-16H2,(H,23,25)