2-ethylsulfanylethyl (4S,5S)-4-(3,5-dimethoxy-4-oxidanyl-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: 2-ethylsulfanylethyl (4S,5S)-4-(3,5-dimethoxy-4-oxidanyl-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-ethylsulfanylethyl (4S,5S)-4-(4-hydroxy-3,5-dimethoxy-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5S)-4-(4-hydroxy-3,5-dimethoxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4S,5S)-4-(4-hydroxy-3,5-dimethoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5S)-4-(4-hydroxy-3,5-dimethoxy-phenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid 2-(ethylthio)ethyl ester Formula: C18H24N2O6S MolecularWeight: 396.45796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1C(NC(=O)NC1=C)C2=CC(=C(C(=C2)OC)O)OC

Isomeric SMILES

CCSCCOC(=O)[C@H]1[C@H](NC(=O)NC1=C)C2=CC(=C(C(=C2)OC)O)OC

InChI

InChI=1S/C18H24N2O6S/c1-5-27-7-6-26-17(22)14-10(2)19-18(23)20-15(14)11-8-12(24-3)16(21)13(9-11)25-4/h8-9,14-15,21H,2,5-7H2,1,3-4H3,(H2,19,20,23)/t14-,15-/m1/s1