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

Systemtic Name: methyl (5R,6R)-4-methylidene-2-sulfanylidene-6-(2,3,4-trimethoxyphenyl)-1,3-diazinane-5-carboxylate Openeye Name: methyl (5R,6R)-4-methylene-2-thioxo-6-(2,3,4-trimethoxyphenyl)hexahydropyrimidine-5-carboxylate CAS Name: (5R,6R)-4-methylene-2-sulfanylidene-6-(2,3,4-trimethoxyphenyl)-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl (5R,6R)-4-methylidene-2-sulfanylidene-6-(2,3,4-trimethoxyphenyl)-1,3-diazinane-5-carboxylate Traditional Name: (5R,6R)-4-methylene-2-thioxo-6-(2,3,4-trimethoxyphenyl)hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C16H20N2O5S MolecularWeight: 352.4054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C2C(C(=C)NC(=S)N2)C(=O)OC)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)[C@H]2[C@H](C(=C)NC(=S)N2)C(=O)OC)OC)OC

InChI

InChI=1S/C16H20N2O5S/c1-8-11(15(19)23-5)12(18-16(24)17-8)9-6-7-10(20-2)14(22-4)13(9)21-3/h6-7,11-12H,1H2,2-5H3,(H2,17,18,24)/t11-,12-/m0/s1