methyl (5S,6R)-4-methylidene-6-[4-(phenylcarbonyloxy)phenyl]-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: methyl (5S,6R)-4-methylidene-6-[4-(phenylcarbonyloxy)phenyl]-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: methyl (4R,5S)-4-(4-benzoyloxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(4-benzoyloxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl (4R,5S)-4-(4-benzoyloxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-(4-benzoyloxyphenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=O)[C@H]1[C@@H](NC(=S)NC1=C)C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O4S/c1-12-16(19(24)25-2)17(22-20(27)21-12)13-8-10-15(11-9-13)26-18(23)14-6-4-3-5-7-14/h3-11,16-17H,1H2,2H3,(H2,21,22,27)/t16-,17+/m1/s1