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

Systemtic Name: ethyl 4-(4-bromophenyl)-2-[(2-phenyl-2-phenylsulfanyl-ethanoyl)amino]thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C27H22BrNO3S2 MolecularWeight: 552.50248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22BrNO3S2/c1-2-32-27(31)23-22(18-13-15-20(28)16-14-18)17-33-26(23)29-25(30)24(19-9-5-3-6-10-19)34-21-11-7-4-8-12-21/h3-17,24H,2H2,1H3,(H,29,30)