[2-oxidanylidene-2-(1-thiophen-2-ylethylamino)ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(1-thiophen-2-ylethylamino)ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-oxo-2-[1-(2-thienyl)ethylamino]ethyl] 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [2-oxo-2-(1-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1-thiophen-2-ylethylamino)ethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid [2-keto-2-[1-(2-thienyl)ethylamino]ethyl] ester Formula: C18H16BrNO4S MolecularWeight: 422.29294

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)NC(C)C3=CC=CS3

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)NC(C)C3=CC=CS3

InChI

InChI=1S/C18H16BrNO4S/c1-10-13-8-12(19)5-6-14(13)24-17(10)18(22)23-9-16(21)20-11(2)15-4-3-7-25-15/h3-8,11H,9H2,1-2H3,(H,20,21)