ethyl (E)-2-cyano-3-[[(3S)-2-oxidanylideneazepan-3-yl]amino]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[[(3S)-2-oxidanylideneazepan-3-yl]amino]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[[(3S)-2-oxoazepan-3-yl]amino]prop-2-enoate CAS Name: (E)-2-cyano-3-[[(3S)-2-oxo-3-azepanyl]amino]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[[(3S)-2-oxoazepan-3-yl]amino]prop-2-enoate Traditional Name: (E)-2-cyano-3-[[(3S)-2-ketoazepan-3-yl]amino]acrylic acid ethyl ester Formula: C12H17N3O3 MolecularWeight: 251.28168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CNC1CCCCNC1=O)C#N

Isomeric SMILES

CCOC(=O)/C(=C/N[C@H]1CCCCNC1=O)/C#N

InChI

InChI=1S/C12H17N3O3/c1-2-18-12(17)9(7-13)8-15-10-5-3-4-6-14-11(10)16/h8,10,15H,2-6H2,1H3,(H,14,16)/b9-8+/t10-/m0/s1