ethyl 2-[2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyloxy]ethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[2-(4-bromanyl-2-methyl-phenyl)sulfanylethanoyloxy]ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[2-(4-bromo-2-methyl-phenyl)sulfanylacetyl]oxyacetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[2-[(4-bromo-2-methylphenyl)thio]-1-oxoethoxy]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[2-(4-bromo-2-methylphenyl)sulfanylacetyl]oxyacetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[2-[(4-bromo-2-methyl-phenyl)thio]acetyl]oxyacetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C24H22BrNO5S2 MolecularWeight: 548.46918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22BrNO5S2/c1-3-30-24(29)22-18(16-7-5-4-6-8-16)13-33-23(22)26-20(27)12-31-21(28)14-32-19-10-9-17(25)11-15(19)2/h4-11,13H,3,12,14H2,1-2H3,(H,26,27)