ethyl 4-(2,4-dimethylphenyl)-2-[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-(2,4-dimethylphenyl)-2-[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-(2,4-dimethylphenyl)-2-[[2-[4-(2-thienylsulfonyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(2,4-dimethylphenyl)-2-[[1-oxo-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(2,4-dimethylphenyl)-2-[[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(2,4-dimethylphenyl)-2-[[2-[4-(2-thienylsulfonyl)piperazino]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C25H29N3O5S3 MolecularWeight: 547.70986

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=C(C=C(C=C2)C)C)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=C(C=C(C=C2)C)C)NC(=O)CN3CCN(CC3)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C25H29N3O5S3/c1-4-33-25(30)23-20(19-8-7-17(2)14-18(19)3)16-35-24(23)26-21(29)15-27-9-11-28(12-10-27)36(31,32)22-6-5-13-34-22/h5-8,13-14,16H,4,9-12,15H2,1-3H3,(H,26,29)