(E)-2-diazonio-1-[methyl(4-thiophen-2-ylbutanoyl)amino]-3-oxidanylidene-but-1-en-1-olate

Systemtic Name: (E)-2-diazonio-1-[methyl(4-thiophen-2-ylbutanoyl)amino]-3-oxidanylidene-but-1-en-1-olate Openeye Name: (E)-2-diazonio-1-[methyl-[4-(2-thienyl)butanoyl]amino]-3-oxo-but-1-en-1-olate CAS Name: (E)-2-diazonio-1-[methyl-(1-oxo-4-thiophen-2-ylbutyl)amino]-3-oxo-1-buten-1-olate IUPAC Name: (E)-2-diazonio-1-[methyl(4-thiophen-2-ylbutanoyl)amino]-3-oxobut-1-en-1-olate Traditional Name: (E)-2-diazonio-3-keto-1-[methyl-[4-(2-thienyl)butanoyl]amino]but-1-en-1-olate Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=C(N(C)C(=O)CCCC1=CC=CS1)[O-])[N+]#N

Isomeric SMILES

CC(=O)/C(=C(/N(C)C(=O)CCCC1=CC=CS1)\[O-])/[N+]#N

InChI

InChI=1S/C13H15N3O3S/c1-9(17)12(15-14)13(19)16(2)11(18)7-3-5-10-6-4-8-20-10/h4,6,8H,3,5,7H2,1-2H3