(E)-3-azanyl-4-methylsulfonyl-but-3-en-2-one

Systemtic Name: (E)-3-azanyl-4-methylsulfonyl-but-3-en-2-one Openeye Name: (E)-3-amino-4-methylsulfonyl-but-3-en-2-one CAS Name: (E)-3-amino-4-methylsulfonyl-3-buten-2-one IUPAC Name: (E)-3-amino-4-methylsulfonylbut-3-en-2-one Traditional Name: (E)-3-amino-4-mesyl-but-3-en-2-one Formula: C5H9NO3S MolecularWeight: 163.19486

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CS(=O)(=O)C)N

Isomeric SMILES

CC(=O)/C(=C\S(=O)(=O)C)/N

InChI

InChI=1S/C5H9NO3S/c1-4(7)5(6)3-10(2,8)9/h3H,6H2,1-2H3/b5-3+