3-phenylpropyl (5R,6R)-4-methylidene-2-oxidanylidene-6-thiophen-2-yl-1,3-diazinane-5-carboxylate

Systemtic Name: 3-phenylpropyl (5R,6R)-4-methylidene-2-oxidanylidene-6-thiophen-2-yl-1,3-diazinane-5-carboxylate Openeye Name: 3-phenylpropyl (5R,6R)-4-methylene-2-oxo-6-(2-thienyl)hexahydropyrimidine-5-carboxylate CAS Name: (5R,6R)-4-methylene-2-oxo-6-thiophen-2-yl-1,3-diazinane-5-carboxylic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl (5R,6R)-4-methylidene-2-oxo-6-thiophen-2-yl-1,3-diazinane-5-carboxylate Traditional Name: (5R,6R)-2-keto-4-methylene-6-(2-thienyl)hexahydropyrimidine-5-carboxylic acid 3-phenylpropyl ester Formula: C19H20N2O3S MolecularWeight: 356.4387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=O)N1)C2=CC=CS2)C(=O)OCCCC3=CC=CC=C3

Isomeric SMILES

C=C1[C@@H]([C@@H](NC(=O)N1)C2=CC=CS2)C(=O)OCCCC3=CC=CC=C3

InChI

InChI=1S/C19H20N2O3S/c1-13-16(17(21-19(23)20-13)15-10-6-12-25-15)18(22)24-11-5-9-14-7-3-2-4-8-14/h2-4,6-8,10,12,16-17H,1,5,9,11H2,(H2,20,21,23)/t16-,17-/m0/s1