(phenylmethyl) (4R,5S)-4-(3-methoxy-4-oxidanyl-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: (phenylmethyl) (4R,5S)-4-(3-methoxy-4-oxidanyl-phenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: benzyl (4R,5S)-4-(4-hydroxy-3-methoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S)-4-(4-hydroxy-3-methoxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4R,5S)-4-(4-hydroxy-3-methoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S)-4-(4-hydroxy-3-methoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid benzyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C(C(=C)NC(=S)N2)C(=O)OCC3=CC=CC=C3)O

Isomeric SMILES

COC1=C(C=CC(=C1)[C@H]2[C@@H](C(=C)NC(=S)N2)C(=O)OCC3=CC=CC=C3)O

InChI

InChI=1S/C20H20N2O4S/c1-12-17(19(24)26-11-13-6-4-3-5-7-13)18(22-20(27)21-12)14-8-9-15(23)16(10-14)25-2/h3-10,17-18,23H,1,11H2,2H3,(H2,21,22,27)/t17-,18+/m1/s1