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

Systemtic Name: ethyl 4-[3-methoxy-4-(phenylcarbonyloxy)phenyl]-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H22N2O5S MolecularWeight: 426.48548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O5S/c1-4-28-21(26)18-13(2)23-22(30)24-19(18)15-10-11-16(17(12-15)27-3)29-20(25)14-8-6-5-7-9-14/h5-12,18-19H,2,4H2,1,3H3,(H2,23,24,30)