ethyl 2-(2-methylpropoxy)-5-[(6-oxidanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)methyl]benzoate

Systemtic Name: ethyl 2-(2-methylpropoxy)-5-[(6-oxidanyl-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-5-yl)methyl]benzoate Openeye Name: ethyl 5-[(6-hydroxy-4-oxo-2-thioxo-1H-pyrimidin-5-yl)methyl]-2-isobutoxy-benzoate CAS Name: 5-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methyl]-2-(2-methylpropoxy)benzoic acid ethyl ester IUPAC Name: ethyl 5-[(6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)methyl]-2-(2-methylpropoxy)benzoate Traditional Name: 5-[(6-hydroxy-4-keto-2-thioxo-1H-pyrimidin-5-yl)methyl]-2-isobutoxy-benzoic acid ethyl ester Formula: C18H22N2O5S MolecularWeight: 378.44268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)CC2=C(NC(=S)NC2=O)O)OCC(C)C

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)CC2=C(NC(=S)NC2=O)O)OCC(C)C

InChI

InChI=1S/C18H22N2O5S/c1-4-24-17(23)12-7-11(5-6-14(12)25-9-10(2)3)8-13-15(21)19-18(26)20-16(13)22/h5-7,10H,4,8-9H2,1-3H3,(H3,19,20,21,22,26)