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

Systemtic Name: ethyl (4S,5S)-4-(3-ethoxy-4-prop-2-ynoxy-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4S,5S)-4-(3-ethoxy-4-prop-2-ynoxy-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5S)-4-(3-ethoxy-4-prop-2-ynoxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5S)-4-(3-ethoxy-4-prop-2-ynoxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5S)-4-(3-ethoxy-4-propargyloxy-phenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C19H22N2O5 MolecularWeight: 358.38838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2C(C(=C)NC(=O)N2)C(=O)OCC)OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)[C@@H]2[C@@H](C(=C)NC(=O)N2)C(=O)OCC)OCC#C

InChI

InChI=1S/C19H22N2O5/c1-5-10-26-14-9-8-13(11-15(14)24-6-2)17-16(18(22)25-7-3)12(4)20-19(23)21-17/h1,8-9,11,16-17H,4,6-7,10H2,2-3H3,(H2,20,21,23)/t16-,17-/m1/s1