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

Systemtic Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-[4-(2-thienylsulfonyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate CAS Name: 4-methyl-5-(methylcarbamoyl)-2-[[1-oxo-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-5-(methylcarbamoyl)-2-[[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-methyl-5-(methylcarbamoyl)-2-[[2-[4-(2-thienylsulfonyl)piperazino]acetyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H26N4O6S3 MolecularWeight: 514.63864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)CN2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H26N4O6S3/c1-4-30-20(27)16-13(2)17(18(26)21-3)32-19(16)22-14(25)12-23-7-9-24(10-8-23)33(28,29)15-6-5-11-31-15/h5-6,11H,4,7-10,12H2,1-3H3,(H,21,26)(H,22,25)