ethyl 4-(4-bromophenyl)-2-(2-phenylsulfanylethanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-bromophenyl)-2-(2-phenylsulfanylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 4-(4-bromophenyl)-2-[(2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[1-oxo-2-(phenylthio)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-bromophenyl)-2-[(2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[2-(phenylthio)acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C21H18BrNO3S2 MolecularWeight: 476.40652

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)Br)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C21H18BrNO3S2/c1-2-26-21(25)19-17(14-8-10-15(22)11-9-14)12-28-20(19)23-18(24)13-27-16-6-4-3-5-7-16/h3-12H,2,13H2,1H3,(H,23,24)