methyl 3-[[4-(diethylsulfamoyl)-1-methyl-pyrrol-2-yl]carbonylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[[4-(diethylsulfamoyl)-1-methyl-pyrrol-2-yl]carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[4-(diethylsulfamoyl)-1-methyl-pyrrole-2-carbonyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[[4-(diethylsulfamoyl)-1-methyl-2-pyrrolyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[4-(diethylsulfamoyl)-1-methylpyrrole-2-carbonyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[4-(diethylsulfamoyl)-1-methyl-pyrrole-2-carbonyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C18H25N3O5S2 MolecularWeight: 427.5382

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CN(C(=C1)C(=O)NC(CC(=O)OC)C2=CC=CS2)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CN(C(=C1)C(=O)NC(CC(=O)OC)C2=CC=CS2)C

InChI

InChI=1S/C18H25N3O5S2/c1-5-21(6-2)28(24,25)13-10-15(20(3)12-13)18(23)19-14(11-17(22)26-4)16-8-7-9-27-16/h7-10,12,14H,5-6,11H2,1-4H3,(H,19,23)