(phenylmethyl) 4-[3-methoxy-4-(phenylcarbonyloxy)phenyl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: (phenylmethyl) 4-[3-methoxy-4-(phenylcarbonyloxy)phenyl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: benzyl 4-(4-benzoyloxy-3-methoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: 4-(4-benzoyloxy-3-methoxyphenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-(4-benzoyloxy-3-methoxyphenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: 4-(4-benzoyloxy-3-methoxy-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid benzyl ester Formula: C27H24N2O5S MolecularWeight: 488.55486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2C(C(=C)NC(=S)N2)C(=O)OCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C2C(C(=C)NC(=S)N2)C(=O)OCC3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H24N2O5S/c1-17-23(26(31)33-16-18-9-5-3-6-10-18)24(29-27(35)28-17)20-13-14-21(22(15-20)32-2)34-25(30)19-11-7-4-8-12-19/h3-15,23-24H,1,16H2,2H3,(H2,28,29,35)