methyl 5-(2-azanyl-1,3-thiazol-3-ium-3-yl)-4-oxidanylidene-pentanoate

Systemtic Name: methyl 5-(2-azanyl-1,3-thiazol-3-ium-3-yl)-4-oxidanylidene-pentanoate Openeye Name: methyl 5-(2-aminothiazol-3-ium-3-yl)-4-oxo-pentanoate CAS Name: 5-(2-amino-3-thiazol-3-iumyl)-4-oxopentanoic acid methyl ester IUPAC Name: methyl 5-(2-amino-1,3-thiazol-3-ium-3-yl)-4-oxopentanoate Traditional Name: 5-(2-aminothiazol-3-ium-3-yl)-4-keto-valeric acid methyl ester Formula: C9H13N2O3S+ MolecularWeight: 229.27612

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)C[N+]1=C(SC=C1)N

Isomeric SMILES

COC(=O)CCC(=O)C[N+]1=C(SC=C1)N

InChI

InChI=1S/C9H12N2O3S/c1-14-8(13)3-2-7(12)6-11-4-5-15-9(11)10/h4-5,10H,2-3,6H2,1H3/p+1