[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 2,5-dimethylfuran-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 2,5-dimethylfuran-3-carboxylate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 2,5-dimethylfuran-3-carboxylate CAS Name: 2,5-dimethyl-3-furancarboxylic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate Traditional Name: 2,5-dimethylfuran-3-carboxylic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C18H21NO4S MolecularWeight: 347.42864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(O1)C)C(=O)OCC(=O)NCCSCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(O1)C)C(=O)OCC(=O)NCCSCC2=CC=CC=C2

InChI

InChI=1S/C18H21NO4S/c1-13-10-16(14(2)23-13)18(21)22-11-17(20)19-8-9-24-12-15-6-4-3-5-7-15/h3-7,10H,8-9,11-12H2,1-2H3,(H,19,20)