methyl 4-methylidene-6-(4-phenylmethoxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: methyl 4-methylidene-6-(4-phenylmethoxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: methyl 4-(4-benzyloxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-methylene-6-(4-phenylmethoxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl 4-methylidene-6-(4-phenylmethoxyphenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: 4-(4-benzoxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(NC(=S)NC1=C)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1C(NC(=S)NC1=C)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O3S/c1-13-17(19(23)24-2)18(22-20(26)21-13)15-8-10-16(11-9-15)25-12-14-6-4-3-5-7-14/h3-11,17-18H,1,12H2,2H3,(H2,21,22,26)