ethyl (4R,5S,6E)-4-(2-chloranyl-5-methoxy-4-oxidanyl-phenyl)-6-propylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl (4R,5S,6E)-4-(2-chloranyl-5-methoxy-4-oxidanyl-phenyl)-6-propylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4R,5S,6E)-4-(2-chloro-4-hydroxy-5-methoxy-phenyl)-6-propylidene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5S,6E)-4-(2-chloro-4-hydroxy-5-methoxyphenyl)-6-propylidene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R,5S,6E)-4-(2-chloro-4-hydroxy-5-methoxyphenyl)-6-propylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4R,5S,6E)-4-(2-chloro-4-hydroxy-5-methoxy-phenyl)-6-propylidene-2-thioxo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C17H21ClN2O4S MolecularWeight: 384.87764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC=C1C(C(NC(=S)N1)C2=CC(=C(C=C2Cl)O)OC)C(=O)OCC

Isomeric SMILES

CC/C=C/1\[C@H]([C@@H](NC(=S)N1)C2=CC(=C(C=C2Cl)O)OC)C(=O)OCC

InChI

InChI=1S/C17H21ClN2O4S/c1-4-6-11-14(16(22)24-5-2)15(20-17(25)19-11)9-7-13(23-3)12(21)8-10(9)18/h6-8,14-15,21H,4-5H2,1-3H3,(H2,19,20,25)/b11-6+/t14-,15+/m1/s1