methyl 2-(4-oxidanylidene-6-phenyl-2-sulfanylidene-1H-pyrimidin-5-yl)ethanoate

Systemtic Name: methyl 2-(4-oxidanylidene-6-phenyl-2-sulfanylidene-1H-pyrimidin-5-yl)ethanoate Openeye Name: methyl 2-(4-oxo-6-phenyl-2-thioxo-1H-pyrimidin-5-yl)acetate CAS Name: 2-(4-oxo-6-phenyl-2-sulfanylidene-1H-pyrimidin-5-yl)acetic acid methyl ester IUPAC Name: methyl 2-(4-oxo-6-phenyl-2-sulfanylidene-1H-pyrimidin-5-yl)acetate Traditional Name: 2-(4-keto-6-phenyl-2-thioxo-1H-pyrimidin-5-yl)acetic acid methyl ester Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=C(NC(=S)NC1=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CC1=C(NC(=S)NC1=O)C2=CC=CC=C2

InChI

InChI=1S/C13H12N2O3S/c1-18-10(16)7-9-11(8-5-3-2-4-6-8)14-13(19)15-12(9)17/h2-6H,7H2,1H3,(H2,14,15,17,19)