ethyl 5-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-6-carboxylate CAS Name: 5-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-phenyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-phenyl-2-thioxo-3,4-dihydro-1H-pyrimidine-6-carboxylic acid ethyl ester Formula: C14H16N2O2S MolecularWeight: 276.35404

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(NC(=S)N1)C2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(C(NC(=S)N1)C2=CC=CC=C2)C

InChI

InChI=1S/C14H16N2O2S/c1-3-18-13(17)12-9(2)11(15-14(19)16-12)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3,(H2,15,16,19)