2-cyanoethyl (4S,5R)-4-(3-ethoxy-4-oxidanyl-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: 2-cyanoethyl (4S,5R)-4-(3-ethoxy-4-oxidanyl-phenyl)-6-methylidene-2-oxidanylidene-1,3-diazinane-5-carboxylate Openeye Name: 2-cyanoethyl (4S,5R)-4-(3-ethoxy-4-hydroxy-phenyl)-6-methylene-2-oxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5R)-4-(3-ethoxy-4-hydroxyphenyl)-6-methylene-2-oxo-1,3-diazinane-5-carboxylic acid 2-cyanoethyl ester IUPAC Name: 2-cyanoethyl (4S,5R)-4-(3-ethoxy-4-hydroxyphenyl)-6-methylidene-2-oxo-1,3-diazinane-5-carboxylate Traditional Name: (4S,5R)-4-(3-ethoxy-4-hydroxy-phenyl)-2-keto-6-methylene-hexahydropyrimidine-5-carboxylic acid 2-cyanoethyl ester Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O5/c1-3-24-13-9-11(5-6-12(13)21)15-14(10(2)19-17(23)20-15)16(22)25-8-4-7-18/h5-6,9,14-15,21H,2-4,8H2,1H3,(H2,19,20,23)/t14-,15+/m0/s1