methyl 3-[3-(4-bromophenyl)sulfanylpropanoylamino]-1-benzofuran-2-carboxylate

Systemtic Name: methyl 3-[3-(4-bromophenyl)sulfanylpropanoylamino]-1-benzofuran-2-carboxylate Openeye Name: methyl 3-[3-(4-bromophenyl)sulfanylpropanoylamino]benzofuran-2-carboxylate CAS Name: 3-[[3-[(4-bromophenyl)thio]-1-oxopropyl]amino]-2-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 3-[3-(4-bromophenyl)sulfanylpropanoylamino]-1-benzofuran-2-carboxylate Traditional Name: 3-[3-[(4-bromophenyl)thio]propanoylamino]coumarilic acid methyl ester Formula: C19H16BrNO4S MolecularWeight: 434.30364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)CCSC3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)CCSC3=CC=C(C=C3)Br

InChI

InChI=1S/C19H16BrNO4S/c1-24-19(23)18-17(14-4-2-3-5-15(14)25-18)21-16(22)10-11-26-13-8-6-12(20)7-9-13/h2-9H,10-11H2,1H3,(H,21,22)