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

Systemtic Name: 4-[4-azanyl-5-(4-oxidanidyl-4-oxidanylidene-butyl)thiophen-2-yl]butanoate Openeye Name: 4-[4-amino-5-(4-oxido-4-oxo-butyl)-2-thienyl]butanoate CAS Name: 4-[4-amino-5-(4-oxido-4-oxobutyl)-2-thiophenyl]butanoate IUPAC Name: 4-[4-amino-5-(4-oxido-4-oxobutyl)thiophen-2-yl]butanoate Traditional Name: 4-[4-amino-5-(4-keto-4-oxido-butyl)-2-thienyl]butyrate Formula: C12H15NO4S-2 MolecularWeight: 269.3168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO4S/c13-9-7-8(3-1-5-11(14)15)18-10(9)4-2-6-12(16)17/h7H,1-6,13H2,(H,14,15)(H,16,17)/p-2