ethyl (2E)-2-[aziridin-1-yl(methylsulfanyl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: ethyl (2E)-2-[aziridin-1-yl(methylsulfanyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: ethyl (2E)-2-[aziridin-1-yl(methylsulfanyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[1-aziridinyl-(methylthio)methylidene]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl (2E)-2-[aziridin-1-yl(methylsulfanyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-ethylenimino-3-(methylthio)acrylic acid ethyl ester Formula: C10H15NO3S MolecularWeight: 229.296

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(N1CC1)SC)C(=O)C

Isomeric SMILES

CCOC(=O)/C(=C(\N1CC1)/SC)/C(=O)C

InChI

InChI=1S/C10H15NO3S/c1-4-14-10(13)8(7(2)12)9(15-3)11-5-6-11/h4-6H2,1-3H3/b9-8+