(1-oxidanylidene-1-phenylazanyl-propan-2-yl) 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: (1-oxidanylidene-1-phenylazanyl-propan-2-yl) 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: (2-anilino-1-methyl-2-oxo-ethyl) 3-(methylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(methylthio)methyl]-2-benzofurancarboxylic acid (1-anilino-1-oxopropan-2-yl) ester IUPAC Name: (1-anilino-1-oxopropan-2-yl) 3-(methylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(methylthio)methyl]coumarilic acid (2-anilino-2-keto-1-methyl-ethyl) ester Formula: C20H19NO4S MolecularWeight: 369.43416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)OC(=O)C2=C(C3=CC=CC=C3O2)CSC

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1)OC(=O)C2=C(C3=CC=CC=C3O2)CSC

InChI

InChI=1S/C20H19NO4S/c1-13(19(22)21-14-8-4-3-5-9-14)24-20(23)18-16(12-26-2)15-10-6-7-11-17(15)25-18/h3-11,13H,12H2,1-2H3,(H,21,22)