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

Systemtic Name: methyl 2-[[2-(4-bromophenyl)sulfanyl-2-phenyl-ethanoyl]amino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-bromophenyl)sulfanyl-2-phenyl-acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-[(4-bromophenyl)thio]-1-oxo-2-phenylethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-bromophenyl)sulfanyl-2-phenylacetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[(4-bromophenyl)thio]-2-phenyl-acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C20H16BrNO3S2 MolecularWeight: 462.37994

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)Br

Isomeric SMILES

COC(=O)C1=C(SC=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)Br

InChI

InChI=1S/C20H16BrNO3S2/c1-25-20(24)16-11-12-26-19(16)22-18(23)17(13-5-3-2-4-6-13)27-15-9-7-14(21)8-10-15/h2-12,17H,1H3,(H,22,23)