ethyl (2R)-2-[(4S,6R)-6-methyl-2-sulfanylidene-1,3-diazinan-4-yl]-3-oxidanylidene-3-phenyl-propanoate

Systemtic Name: ethyl (2R)-2-[(4S,6R)-6-methyl-2-sulfanylidene-1,3-diazinan-4-yl]-3-oxidanylidene-3-phenyl-propanoate Openeye Name: ethyl (2R)-2-[(4S,6R)-6-methyl-2-thioxo-hexahydropyrimidin-4-yl]-3-oxo-3-phenyl-propanoate CAS Name: (2R)-2-[(4S,6R)-6-methyl-2-sulfanylidene-1,3-diazinan-4-yl]-3-oxo-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(4S,6R)-6-methyl-2-sulfanylidene-1,3-diazinan-4-yl]-3-oxo-3-phenylpropanoate Traditional Name: (2R)-3-keto-2-[(4S,6R)-6-methyl-2-thioxo-hexahydropyrimidin-4-yl]-3-phenyl-propionic acid ethyl ester Formula: C16H20N2O3S MolecularWeight: 320.4066

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1CC(NC(=S)N1)C)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@H]([C@@H]1C[C@H](NC(=S)N1)C)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C16H20N2O3S/c1-3-21-15(20)13(12-9-10(2)17-16(22)18-12)14(19)11-7-5-4-6-8-11/h4-8,10,12-13H,3,9H2,1-2H3,(H2,17,18,22)/t10-,12+,13-/m1/s1