(E)-2-diazonio-1-[methyl(5-thiophen-2-ylpentanoyl)amino]-3-oxidanylidene-but-1-en-1-olate

Systemtic Name: (E)-2-diazonio-1-[methyl(5-thiophen-2-ylpentanoyl)amino]-3-oxidanylidene-but-1-en-1-olate Openeye Name: (E)-2-diazonio-1-[methyl-[5-(2-thienyl)pentanoyl]amino]-3-oxo-but-1-en-1-olate CAS Name: (E)-2-diazonio-1-[methyl-(1-oxo-5-thiophen-2-ylpentyl)amino]-3-oxo-1-buten-1-olate IUPAC Name: (E)-2-diazonio-1-[methyl(5-thiophen-2-ylpentanoyl)amino]-3-oxobut-1-en-1-olate Traditional Name: (E)-2-diazonio-3-keto-1-[methyl-[5-(2-thienyl)pentanoyl]amino]but-1-en-1-olate Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(N(C)C(=O)CCCCC1=CC=CS1)[O-])[N+]#N

Isomeric SMILES

CC(=O)/C(=C(/N(C)C(=O)CCCCC1=CC=CS1)\[O-])/[N+]#N

InChI

InChI=1S/C14H17N3O3S/c1-10(18)13(16-15)14(20)17(2)12(19)8-4-3-6-11-7-5-9-21-11/h5,7,9H,3-4,6,8H2,1-2H3