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

Systemtic Name: ethyl (2R)-2-[(4R,6S)-3,6-dimethyl-2-sulfanylidene-1,3-diazinan-4-yl]-3-oxidanylidene-3-phenyl-propanoate Openeye Name: ethyl (2R)-2-[(4R,6S)-3,6-dimethyl-2-thioxo-hexahydropyrimidin-4-yl]-3-oxo-3-phenyl-propanoate CAS Name: (2R)-2-[(4R,6S)-3,6-dimethyl-2-sulfanylidene-1,3-diazinan-4-yl]-3-oxo-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-[(4R,6S)-3,6-dimethyl-2-sulfanylidene-1,3-diazinan-4-yl]-3-oxo-3-phenylpropanoate Traditional Name: (2R)-2-[(4R,6S)-3,6-dimethyl-2-thioxo-hexahydropyrimidin-4-yl]-3-keto-3-phenyl-propionic acid ethyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1CC(NC(=S)N1C)C)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@H]([C@H]1C[C@@H](NC(=S)N1C)C)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H22N2O3S/c1-4-22-16(21)14(15(20)12-8-6-5-7-9-12)13-10-11(2)18-17(23)19(13)3/h5-9,11,13-14H,4,10H2,1-3H3,(H,18,23)/t11-,13+,14+/m0/s1