methyl (4S,5S,6R)-1-ethyl-6-methyl-4-phenethyl-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: methyl (4S,5S,6R)-1-ethyl-6-methyl-4-phenethyl-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: methyl (4S,5S,6R)-1-ethyl-6-methyl-4-phenethyl-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5S,6R)-1-ethyl-6-methyl-4-phenethyl-2-sulfanylidene-1,3-diazinane-5-carboxylic acid methyl ester IUPAC Name: methyl (4S,5S,6R)-1-ethyl-6-methyl-4-phenethyl-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4S,5S,6R)-1-ethyl-6-methyl-4-phenethyl-2-thioxo-hexahydropyrimidine-5-carboxylic acid methyl ester Formula: C17H24N2O2S MolecularWeight: 320.44966

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(C(C(NC1=S)CCC2=CC=CC=C2)C(=O)OC)C

Isomeric SMILES

CCN1[C@@H]([C@H]([C@@H](NC1=S)CCC2=CC=CC=C2)C(=O)OC)C

InChI

InChI=1S/C17H24N2O2S/c1-4-19-12(2)15(16(20)21-3)14(18-17(19)22)11-10-13-8-6-5-7-9-13/h5-9,12,14-15H,4,10-11H2,1-3H3,(H,18,22)/t12-,14+,15-/m1/s1