[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 5-methoxy-3-methyl-benzofuran-2-carboxylate CAS Name: 5-methoxy-3-methyl-2-benzofurancarboxylic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-methoxy-3-methyl-coumarilic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C21H21NO5S MolecularWeight: 399.46014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C21H21NO5S/c1-14-17-12-15(25-2)8-9-18(17)27-20(14)21(24)26-13-19(23)22-10-11-28-16-6-4-3-5-7-16/h3-9,12H,10-11,13H2,1-2H3,(H,22,23)