5-[4-azanyl-5-(4-oxidanidyl-4-oxidanylidene-butyl)thiophen-2-yl]pentanoate

Systemtic Name: 5-[4-azanyl-5-(4-oxidanidyl-4-oxidanylidene-butyl)thiophen-2-yl]pentanoate Openeye Name: 5-[4-amino-5-(4-oxido-4-oxo-butyl)-2-thienyl]pentanoate CAS Name: 5-[4-amino-5-(4-oxido-4-oxobutyl)-2-thiophenyl]pentanoate IUPAC Name: 5-[4-amino-5-(4-oxido-4-oxobutyl)thiophen-2-yl]pentanoate Traditional Name: 5-[4-amino-5-(4-keto-4-oxido-butyl)-2-thienyl]valerate Formula: C13H17NO4S-2 MolecularWeight: 283.34338

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1N)CCCC(=O)[O-])CCCCC(=O)[O-]

Isomeric SMILES

C1=C(SC(=C1N)CCCC(=O)[O-])CCCCC(=O)[O-]

InChI

InChI=1S/C13H19NO4S/c14-10-8-9(4-1-2-6-12(15)16)19-11(10)5-3-7-13(17)18/h8H,1-7,14H2,(H,15,16)(H,17,18)/p-2