4-[(4-oxidanylidene-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]cyclohexane-1-carboxylate

Systemtic Name: 4-[(4-oxidanylidene-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]cyclohexane-1-carboxylate Openeye Name: 4-[(4-oxo-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]cyclohexanecarboxylate CAS Name: 4-[(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[(4-oxo-2-sulfanylidene-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]cyclohexane-1-carboxylate Traditional Name: 4-[(4-keto-2-thioxo-1H-thieno[3,2-d]pyrimidin-3-yl)methyl]cyclohexanecarboxylate Formula: C14H15N2O3S2- MolecularWeight: 323.4105

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C(=O)C3=C(C=CS3)NC2=S)C(=O)[O-]

Isomeric SMILES

C1CC(CCC1CN2C(=O)C3=C(C=CS3)NC2=S)C(=O)[O-]

InChI

InChI=1S/C14H16N2O3S2/c17-12-11-10(5-6-21-11)15-14(20)16(12)7-8-1-3-9(4-2-8)13(18)19/h5-6,8-9H,1-4,7H2,(H,15,20)(H,18,19)/p-1