[(1S)-2-oxidanylidenecyclohexyl] 2-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)ethanoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 2-(5,6-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidin-3-yl)ethanoate Openeye Name: [(1S)-2-oxocyclohexyl] 2-(5,6-dimethyl-4-oxo-thieno[2,3-d]pyrimidin-3-yl)acetate CAS Name: 2-(5,6-dimethyl-4-oxo-3-thieno[2,3-d]pyrimidinyl)acetic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 2-(5,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3-yl)acetate Traditional Name: 2-(4-keto-5,6-dimethyl-thieno[2,3-d]pyrimidin-3-yl)acetic acid [(1S)-2-ketocyclohexyl] ester Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)OC3CCCCC3=O)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)O[C@H]3CCCCC3=O)C

InChI

InChI=1S/C16H18N2O4S/c1-9-10(2)23-15-14(9)16(21)18(8-17-15)7-13(20)22-12-6-4-3-5-11(12)19/h8,12H,3-7H2,1-2H3/t12-/m0/s1