3-[4-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl-propyl-sulfamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl-propyl-sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl-propyl-sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl-propylsulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl-propylsulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[(4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl-propyl-sulfamoyl]phenyl]propionic acid Formula: C19H21N3O5S2 MolecularWeight: 435.51714

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=NC(=O)C2=C(N1)C=CS2)S(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

CCCN(CC1=NC(=O)C2=C(N1)C=CS2)S(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C19H21N3O5S2/c1-2-10-22(12-16-20-15-9-11-28-18(15)19(25)21-16)29(26,27)14-6-3-13(4-7-14)5-8-17(23)24/h3-4,6-7,9,11H,2,5,8,10,12H2,1H3,(H,23,24)(H,20,21,25)