(4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: (4-oxidanylidene-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-thieno[3,2-d]pyrimidin-2-yl)methyl 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid (4-keto-1H-thieno[3,2-d]pyrimidin-2-yl)methyl ester Formula: C17H17N3O5S2 MolecularWeight: 407.46398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=NC(=O)C3=C(N2)C=CS3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NCCC(=O)OCC2=NC(=O)C3=C(N2)C=CS3

InChI

InChI=1S/C17H17N3O5S2/c1-11-2-4-12(5-3-11)27(23,24)18-8-6-15(21)25-10-14-19-13-7-9-26-16(13)17(22)20-14/h2-5,7,9,18H,6,8,10H2,1H3,(H,19,20,22)