(E)-4-ethoxy-3-[3-(2-methylsulfanylethyl)-1,3-oxazol-3-ium-2-yl]-4-oxidanyl-but-3-en-2-one

Systemtic Name: (E)-4-ethoxy-3-[3-(2-methylsulfanylethyl)-1,3-oxazol-3-ium-2-yl]-4-oxidanyl-but-3-en-2-one Openeye Name: (E)-4-ethoxy-4-hydroxy-3-[3-(2-methylsulfanylethyl)oxazol-3-ium-2-yl]but-3-en-2-one CAS Name: (E)-4-ethoxy-4-hydroxy-3-[3-[2-(methylthio)ethyl]-2-oxazol-3-iumyl]-3-buten-2-one IUPAC Name: (E)-4-ethoxy-4-hydroxy-3-[3-(2-methylsulfanylethyl)-1,3-oxazol-3-ium-2-yl]but-3-en-2-one Traditional Name: (E)-4-ethoxy-4-hydroxy-3-[3-[2-(methylthio)ethyl]oxazol-3-ium-2-yl]but-3-en-2-one Formula: C12H18NO4S+ MolecularWeight: 272.34062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C1=[N+](C=CO1)CCSC)C(=O)C)O

Isomeric SMILES

CCO/C(=C(\C1=[N+](C=CO1)CCSC)/C(=O)C)/O

InChI

InChI=1S/C12H17NO4S/c1-4-16-12(15)10(9(2)14)11-13(5-7-17-11)6-8-18-3/h5,7H,4,6,8H2,1-3H3/p+1