ethyl 2-oxidanylidene-6-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-oxidanylidene-6-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-oxo-6-(6-thioxocyclohexa-1,3-dien-1-yl)-1H-pyrimidine-5-carboxylate CAS Name: 2-oxo-6-(6-sulfanylidene-1-cyclohexa-1,3-dienyl)-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-oxo-6-(6-sulfanylidenecyclohexa-1,3-dien-1-yl)-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-(6-thioxocyclohexa-1,3-dien-1-yl)-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)N=C1)C2=CC=CCC2=S

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N=C1)C2=CC=CCC2=S

InChI

InChI=1S/C13H12N2O3S/c1-2-18-12(16)9-7-14-13(17)15-11(9)8-5-3-4-6-10(8)19/h3-5,7H,2,6H2,1H3,(H,14,15,17)