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

Systemtic Name: methyl 3-[[2-(4-bromophenyl)sulfanyl-2-phenyl-ethanoyl]amino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[[2-(4-bromophenyl)sulfanyl-2-phenyl-acetyl]amino]benzothiophene-2-carboxylate CAS Name: 3-[[2-[(4-bromophenyl)thio]-1-oxo-2-phenylethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-bromophenyl)sulfanyl-2-phenylacetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-[[2-[(4-bromophenyl)thio]-2-phenyl-acetyl]amino]benzothiophene-2-carboxylic acid methyl ester Formula: C24H18BrNO3S2 MolecularWeight: 512.43862

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)C(C3=CC=CC=C3)SC4=CC=C(C=C4)Br

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)C(C3=CC=CC=C3)SC4=CC=C(C=C4)Br

InChI

InChI=1S/C24H18BrNO3S2/c1-29-24(28)22-20(18-9-5-6-10-19(18)31-22)26-23(27)21(15-7-3-2-4-8-15)30-17-13-11-16(25)12-14-17/h2-14,21H,1H3,(H,26,27)