ethyl 2-[2-(4-bromophenyl)sulfanylethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-bromophenyl)sulfanylethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(4-bromophenyl)thio]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-bromophenyl)sulfanylacetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[(4-bromophenyl)thio]acetyl]amino]-4-phenyl-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=CC=C2)NC(=O)CSC3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

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