3-(4-ethoxy-2-sulfanyl-phenyl)-2,4-bis(oxidanylidene)-1H-pyrimidine-5-carboxylic acid

Systemtic Name: 3-(4-ethoxy-2-sulfanyl-phenyl)-2,4-bis(oxidanylidene)-1H-pyrimidine-5-carboxylic acid Openeye Name: 3-(4-ethoxy-2-sulfanyl-phenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid CAS Name: 3-(4-ethoxy-2-mercaptophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 3-(4-ethoxy-2-sulfanylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 3-(4-ethoxy-2-mercapto-phenyl)-2,4-diketo-1H-pyrimidine-5-carboxylic acid Formula: C13H12N2O5S MolecularWeight: 308.30978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=C(C=C1)N2C(=O)C(=CNC2=O)C(=O)O)S

Isomeric SMILES

CCOC1=CC(=C(C=C1)N2C(=O)C(=CNC2=O)C(=O)O)S

InChI

InChI=1S/C13H12N2O5S/c1-2-20-7-3-4-9(10(21)5-7)15-11(16)8(12(17)18)6-14-13(15)19/h3-6,21H,2H2,1H3,(H,14,19)(H,17,18)