ethyl (5S,6S)-4-methylidene-2-oxidanylidene-6-(2-propoxyphenyl)-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl (5S,6S)-4-methylidene-2-oxidanylidene-6-(2-propoxyphenyl)-1,3-diazinane-5-carboxylate Openeye Name: ethyl (5S,6S)-4-methylene-2-oxo-6-(2-propoxyphenyl)hexahydropyrimidine-5-carboxylate CAS Name: (5S,6S)-4-methylene-2-oxo-6-(2-propoxyphenyl)-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (5S,6S)-4-methylidene-2-oxo-6-(2-propoxyphenyl)-1,3-diazinane-5-carboxylate Traditional Name: (5S,6S)-2-keto-4-methylene-6-(2-propoxyphenyl)hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2C(C(=C)NC(=O)N2)C(=O)OCC

Isomeric SMILES

CCCOC1=CC=CC=C1[C@@H]2[C@@H](C(=C)NC(=O)N2)C(=O)OCC

InChI

InChI=1S/C17H22N2O4/c1-4-10-23-13-9-7-6-8-12(13)15-14(16(20)22-5-2)11(3)18-17(21)19-15/h6-9,14-15H,3-5,10H2,1-2H3,(H2,18,19,21)/t14-,15-/m1/s1