pentyl (5R,6S)-4-methylidene-6-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: pentyl (5R,6S)-4-methylidene-6-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: pentyl (5R,6S)-4-methylene-6-phenyl-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (5R,6S)-4-methylene-6-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxylic acid pentyl ester IUPAC Name: pentyl (5R,6S)-4-methylidene-6-phenyl-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (5R,6S)-4-methylene-6-phenyl-2-thioxo-hexahydropyrimidine-5-carboxylic acid amyl ester Formula: C17H22N2O2S MolecularWeight: 318.43378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1C(NC(=S)NC1=C)C2=CC=CC=C2

Isomeric SMILES

CCCCCOC(=O)[C@@H]1[C@H](NC(=S)NC1=C)C2=CC=CC=C2

InChI

InChI=1S/C17H22N2O2S/c1-3-4-8-11-21-16(20)14-12(2)18-17(22)19-15(14)13-9-6-5-7-10-13/h5-7,9-10,14-15H,2-4,8,11H2,1H3,(H2,18,19,22)/t14-,15+/m0/s1