ethyl (2S)-3-(ethoxycarbonylamino)-3-oxidanylidene-2-(pyridin-4-ylmethyliminomethyl)propanoate

Systemtic Name: ethyl (2S)-3-(ethoxycarbonylamino)-3-oxidanylidene-2-(pyridin-4-ylmethyliminomethyl)propanoate Openeye Name: ethyl (2S)-3-(ethoxycarbonylamino)-3-oxo-2-(4-pyridylmethyliminomethyl)propanoate CAS Name: (2S)-3-(ethoxycarbonylamino)-3-oxo-2-(pyridin-4-ylmethyliminomethyl)propanoic acid ethyl ester IUPAC Name: ethyl (2S)-3-(ethoxycarbonylamino)-3-oxo-2-(pyridin-4-ylmethyliminomethyl)propanoate Traditional Name: (2S)-3-(carbethoxyamino)-3-keto-2-(4-pyridylmethyliminomethyl)propionic acid ethyl ester Formula: C15H19N3O5 MolecularWeight: 321.32846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C=NCC1=CC=NC=C1)C(=O)NC(=O)OCC

Isomeric SMILES

CCOC(=O)[C@@H](C=NCC1=CC=NC=C1)C(=O)NC(=O)OCC

InChI

InChI=1S/C15H19N3O5/c1-3-22-14(20)12(13(19)18-15(21)23-4-2)10-17-9-11-5-7-16-8-6-11/h5-8,10,12H,3-4,9H2,1-2H3,(H,18,19,21)/t12-/m0/s1