3-[(3-methyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylsulfanyl]propanoate

Systemtic Name: 3-[(3-methyl-5-oxidanylidene-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylsulfanyl]propanoate Openeye Name: 3-[(3-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylsulfanyl]propanoate CAS Name: 3-[(3-methyl-5-oxo-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylthio]propanoate IUPAC Name: 3-[(3-methyl-5-oxo-8H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylsulfanyl]propanoate Traditional Name: 3-[(5-keto-3-methyl-8H-thiazolo[3,2-a]pyrimidin-4-ium-7-yl)methylthio]propionate Formula: C11H12N2O3S2 MolecularWeight: 284.35458

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC2=[N+]1C(=O)C=C(N2)CSCCC(=O)[O-]

Isomeric SMILES

CC1=CSC2=[N+]1C(=O)C=C(N2)CSCCC(=O)[O-]

InChI

InChI=1S/C11H12N2O3S2/c1-7-5-18-11-12-8(4-9(14)13(7)11)6-17-3-2-10(15)16/h4-5H,2-3,6H2,1H3,(H,15,16)