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

Systemtic Name: ethyl 3-[2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]ethanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]acetyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[2-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-1-oxoethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]acetyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[2-[4-(4-chloro-2-nitro-phenyl)piperazino]acetyl]amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C25H25ClN4O5S MolecularWeight: 529.0078

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CN3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CN3CCN(CC3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H25ClN4O5S/c1-2-35-25(32)24-19(15-22(36-24)17-6-4-3-5-7-17)27-23(31)16-28-10-12-29(13-11-28)20-9-8-18(26)14-21(20)30(33)34/h3-9,14-15H,2,10-13,16H2,1H3,(H,27,31)