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

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C17H14BrNO4S MolecularWeight: 408.26636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)NCC3=CC=CS3

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC(=O)NCC3=CC=CS3

InChI

InChI=1S/C17H14BrNO4S/c1-10-13-7-11(18)4-5-14(13)23-16(10)17(21)22-9-15(20)19-8-12-3-2-6-24-12/h2-7H,8-9H2,1H3,(H,19,20)