ethyl 2-[(5S)-5-(2-methylpropyl)-6-oxidanylidene-3-phenyl-2,5-dihydro-1,2,4-triazin-1-yl]propanoate

Systemtic Name: ethyl 2-[(5S)-5-(2-methylpropyl)-6-oxidanylidene-3-phenyl-2,5-dihydro-1,2,4-triazin-1-yl]propanoate Openeye Name: ethyl 2-[(5S)-5-isobutyl-6-oxo-3-phenyl-2,5-dihydro-1,2,4-triazin-1-yl]propanoate CAS Name: 2-[(5S)-5-(2-methylpropyl)-6-oxo-3-phenyl-2,5-dihydro-1,2,4-triazin-1-yl]propanoic acid ethyl ester IUPAC Name: ethyl 2-[(5S)-5-(2-methylpropyl)-6-oxo-3-phenyl-2,5-dihydro-1,2,4-triazin-1-yl]propanoate Traditional Name: 2-[(5S)-5-isobutyl-6-keto-3-phenyl-2,5-dihydro-1,2,4-triazin-1-yl]propionic acid ethyl ester Formula: C18H25N3O3 MolecularWeight: 331.4094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)N1C(=O)C(N=C(N1)C2=CC=CC=C2)CC(C)C

Isomeric SMILES

CCOC(=O)C(C)N1C(=O)[C@@H](N=C(N1)C2=CC=CC=C2)CC(C)C

InChI

InChI=1S/C18H25N3O3/c1-5-24-18(23)13(4)21-17(22)15(11-12(2)3)19-16(20-21)14-9-7-6-8-10-14/h6-10,12-13,15H,5,11H2,1-4H3,(H,19,20)/t13?,15-/m0/s1