5-[(3-ethoxycarbonyl-4-propoxy-phenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-olate

Systemtic Name: 5-[(3-ethoxycarbonyl-4-propoxy-phenyl)methyl]-4-oxidanylidene-2-sulfanylidene-1H-pyrimidin-6-olate Openeye Name: 5-[(3-ethoxycarbonyl-4-propoxy-phenyl)methyl]-4-oxo-2-thioxo-1H-pyrimidin-6-olate CAS Name: 5-[(3-ethoxycarbonyl-4-propoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidin-6-olate IUPAC Name: 5-[(3-ethoxycarbonyl-4-propoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-pyrimidin-6-olate Traditional Name: 5-(3-carbethoxy-4-propoxy-benzyl)-4-keto-2-thioxo-1H-pyrimidin-6-olate Formula: C17H19N2O5S- MolecularWeight: 363.40816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CC2=C(NC(=S)NC2=O)[O-])C(=O)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CC2=C(NC(=S)NC2=O)[O-])C(=O)OCC

InChI

InChI=1S/C17H20N2O5S/c1-3-7-24-13-6-5-10(8-11(13)16(22)23-4-2)9-12-14(20)18-17(25)19-15(12)21/h5-6,8H,3-4,7,9H2,1-2H3,(H3,18,19,20,21,25)/p-1