ethyl (4S,5R)-4-(3-methoxy-4-prop-2-ynoxy-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl (4S,5R)-4-(3-methoxy-4-prop-2-ynoxy-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4S,5R)-4-(3-methoxy-4-prop-2-ynoxy-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(3-methoxy-4-prop-2-ynoxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5R)-4-(3-methoxy-4-prop-2-ynoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-2-keto-4-(3-methoxy-4-propargyloxy-phenyl)-6-methylene-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=O)NC1=C)C2=CC(=C(C=C2)OCC#C)OC

Isomeric SMILES

CCOC(=O)[C@@H]1[C@H](NC(=O)NC1=C)C2=CC(=C(C=C2)OCC#C)OC

InChI

InChI=1S/C18H20N2O5/c1-5-9-25-13-8-7-12(10-14(13)23-4)16-15(17(21)24-6-2)11(3)19-18(22)20-16/h1,7-8,10,15-16H,3,6,9H2,2,4H3,(H2,19,20,22)/t15-,16+/m0/s1