[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] 4-methyl-2-(2-thienyl)thiazole-5-carboxylate CAS Name: 4-methyl-2-thiophen-2-yl-5-thiazolecarboxylic acid [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-(2-thienyl)thiazole-5-carboxylic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C21H21N3O5S3 MolecularWeight: 491.60354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CS2)C(=O)OCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CS2)C(=O)OCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21N3O5S3/c1-15-19(31-20(22-15)17-8-5-13-30-17)21(26)29-14-18(25)23-9-11-24(12-10-23)32(27,28)16-6-3-2-4-7-16/h2-8,13H,9-12,14H2,1H3