methyl 4-methylidene-6-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: methyl 4-methylidene-6-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: methyl 4-methylene-6-phenyl-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-methylene-6-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl 4-methylidene-6-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: 4-methylene-6-phenyl-2-thioxo-hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C13H14N2O2S MolecularWeight: 262.32746

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(NC(=S)NC1=C)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C1C(NC(=S)NC1=C)C2=CC=CC=C2

InChI

InChI=1S/C13H14N2O2S/c1-8-10(12(16)17-2)11(15-13(18)14-8)9-6-4-3-5-7-9/h3-7,10-11H,1H2,2H3,(H2,14,15,18)