ethyl 5-[2-[(2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoyl]oxyethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[2-[(2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoyl]oxyethanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[2-[(2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[2-[(2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-1-oxopropoxy]-1-oxoethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-[(2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-[(2S)-2-(piazthiol-4-ylsulfonylamino)propanoyl]oxyacetyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H22N4O7S2 MolecularWeight: 494.54128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)C(C)NS(=O)(=O)C2=CC=CC3=NSN=C32)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)COC(=O)[C@H](C)NS(=O)(=O)C2=CC=CC3=NSN=C32)C

InChI

InChI=1S/C20H22N4O7S2/c1-5-30-20(27)16-10(2)17(21-11(16)3)14(25)9-31-19(26)12(4)24-33(28,29)15-8-6-7-13-18(15)23-32-22-13/h6-8,12,21,24H,5,9H2,1-4H3/t12-/m0/s1