methyl 5-[(1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrol-2-yl)carbonylamino]thiophene-2-carboxylate

Systemtic Name: methyl 5-[(1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrol-2-yl)carbonylamino]thiophene-2-carboxylate Openeye Name: methyl 5-[(1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carbonyl)amino]thiophene-2-carboxylate CAS Name: 5-[[[1-methyl-4-(1-pyrrolidinylsulfonyl)-2-pyrrolyl]-oxomethyl]amino]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[(1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carbonyl)amino]thiophene-2-carboxylate Traditional Name: 5-[(1-methyl-4-pyrrolidinosulfonyl-pyrrole-2-carbonyl)amino]thiophene-2-carboxylic acid methyl ester Formula: C16H19N3O5S2 MolecularWeight: 397.46916

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=CC=C(S2)C(=O)OC)S(=O)(=O)N3CCCC3

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=CC=C(S2)C(=O)OC)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C16H19N3O5S2/c1-18-10-11(26(22,23)19-7-3-4-8-19)9-12(18)15(20)17-14-6-5-13(25-14)16(21)24-2/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,20)