ethyl 2-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidin-2-yl]carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidin-2-yl]carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidine-2-carbonyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-2-pyrrolidinyl]-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[1-(2,1,3-benzothiadiazol-4-ylsulfonyl)pyrrolidine-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[(1-piazthiol-4-ylsulfonylprolyl)amino]thiophene-3-carboxylic acid ethyl ester Formula: C20H22N4O5S3 MolecularWeight: 494.60748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2CCCN2S(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C20H22N4O5S3/c1-4-29-20(26)16-11(2)12(3)30-19(16)21-18(25)14-8-6-10-24(14)32(27,28)15-9-5-7-13-17(15)23-31-22-13/h5,7,9,14H,4,6,8,10H2,1-3H3,(H,21,25)