ethyl 4-methyl-5-phenyl-2-[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-methyl-5-phenyl-2-[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-5-phenyl-2-[[2-[4-(2-thienylsulfonyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4-methyl-2-[[1-oxo-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-5-phenyl-2-[[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-methyl-5-phenyl-2-[[2-[4-(2-thienylsulfonyl)piperazino]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C24H27N3O5S3 MolecularWeight: 533.68328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C2=CC=CC=C2)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C2=CC=CC=C2)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C24H27N3O5S3/c1-3-32-24(29)21-17(2)22(18-8-5-4-6-9-18)34-23(21)25-19(28)16-26-11-13-27(14-12-26)35(30,31)20-10-7-15-33-20/h4-10,15H,3,11-14,16H2,1-2H3,(H,25,28)