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

Systemtic Name: methyl 4-(4-bromophenyl)-2-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-[(2-phenyl-2-phenylsulfanyl-acetyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[1-oxo-2-phenyl-2-(phenylthio)ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[2-phenyl-2-(phenylthio)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C26H20BrNO3S2 MolecularWeight: 538.4759

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C26H20BrNO3S2/c1-31-26(30)22-21(17-12-14-19(27)15-13-17)16-32-25(22)28-24(29)23(18-8-4-2-5-9-18)33-20-10-6-3-7-11-20/h2-16,23H,1H3,(H,28,29)