2-azaniumyl-4-[4-ethyl-1,3-bis(oxidanylidene)-4,5-dihydro-1,2-thiazol-1-yl]butanoate

Systemtic Name: 2-azaniumyl-4-[4-ethyl-1,3-bis(oxidanylidene)-4,5-dihydro-1,2-thiazol-1-yl]butanoate Openeye Name: 2-azaniumyl-4-(4-ethyl-1,3-dioxo-4,5-dihydroisothiazol-1-yl)butanoate CAS Name: 2-ammonio-4-(4-ethyl-1,3-dioxo-4,5-dihydroisothiazol-1-yl)butanoate IUPAC Name: 2-azaniumyl-4-(4-ethyl-1,3-dioxo-4,5-dihydro-1,2-thiazol-1-yl)butanoate Traditional Name: 2-ammonio-4-(4-ethyl-1,3-diketo-4,5-dihydroisothiazol-1-yl)butyrate Formula: C9H16N2O4S MolecularWeight: 248.29934

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CS(=NC1=O)(=O)CCC(C(=O)[O-])[NH3+]

Isomeric SMILES

CCC1CS(=NC1=O)(=O)CCC(C(=O)[O-])[NH3+]

InChI

InChI=1S/C9H16N2O4S/c1-2-6-5-16(15,11-8(6)12)4-3-7(10)9(13)14/h6-7H,2-5,10H2,1H3,(H,13,14)