ethyl 5-bromanyl-2-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-bromanyl-2-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-bromo-2-[[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-bromo-2-[[2-[4-(2-hydroxyphenyl)-1-piperazinyl]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-bromo-2-[[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-bromo-2-[[2-[4-(2-hydroxyphenyl)piperazino]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H26BrN3O4S MolecularWeight: 544.46064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Br)NC(=O)CN3CCN(CC3)C4=CC=CC=C4O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)Br)NC(=O)CN3CCN(CC3)C4=CC=CC=C4O

InChI

InChI=1S/C25H26BrN3O4S/c1-2-33-25(32)22-21(17-8-4-3-5-9-17)23(26)34-24(22)27-20(31)16-28-12-14-29(15-13-28)18-10-6-7-11-19(18)30/h3-11,30H,2,12-16H2,1H3,(H,27,31)