(5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-acetamido-2-cyclopentyl-ethanoate

Systemtic Name: (5,6-dimethyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-acetamido-2-cyclopentyl-ethanoate Openeye Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-acetamido-2-cyclopentyl-acetate CAS Name: 2-acetamido-2-cyclopentylacetic acid (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester IUPAC Name: (5,6-dimethyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)methyl 2-acetamido-2-cyclopentylacetate Traditional Name: 2-acetamido-2-cyclopentyl-acetic acid (4-keto-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C(C3CCCC3)NC(=O)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)COC(=O)C(C3CCCC3)NC(=O)C)C

InChI

InChI=1S/C18H23N3O4S/c1-9-10(2)26-17-14(9)16(23)20-13(21-17)8-25-18(24)15(19-11(3)22)12-6-4-5-7-12/h12,15H,4-8H2,1-3H3,(H,19,22)(H,20,21,23)