methyl 3-[[2-(4-bromophenyl)sulfanyl-2-phenyl-ethanoyl]amino]-1-benzofuran-2-carboxylate

Systemtic Name: methyl 3-[[2-(4-bromophenyl)sulfanyl-2-phenyl-ethanoyl]amino]-1-benzofuran-2-carboxylate Openeye Name: methyl 3-[[2-(4-bromophenyl)sulfanyl-2-phenyl-acetyl]amino]benzofuran-2-carboxylate CAS Name: 3-[[2-[(4-bromophenyl)thio]-1-oxo-2-phenylethyl]amino]-2-benzofurancarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-bromophenyl)sulfanyl-2-phenylacetyl]amino]-1-benzofuran-2-carboxylate Traditional Name: 3-[[2-[(4-bromophenyl)thio]-2-phenyl-acetyl]amino]coumarilic acid methyl ester Formula: C24H18BrNO4S MolecularWeight: 496.37302

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)C(C3=CC=CC=C3)SC4=CC=C(C=C4)Br

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2O1)NC(=O)C(C3=CC=CC=C3)SC4=CC=C(C=C4)Br

InChI

InChI=1S/C24H18BrNO4S/c1-29-24(28)21-20(18-9-5-6-10-19(18)30-21)26-23(27)22(15-7-3-2-4-8-15)31-17-13-11-16(25)12-14-17/h2-14,22H,1H3,(H,26,27)