3-azanyl-2-[(E)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]-4-oxidanylidene-azetidine-1-sulfonic acid

Systemtic Name: 3-azanyl-2-[(E)-4-ethoxy-4-oxidanylidene-but-2-en-2-yl]-4-oxidanylidene-azetidine-1-sulfonic acid Openeye Name: 3-amino-2-[(E)-3-ethoxy-1-methyl-3-oxo-prop-1-enyl]-4-oxo-azetidine-1-sulfonic acid CAS Name: 3-amino-2-[(E)-4-ethoxy-4-oxobut-2-en-2-yl]-4-oxo-1-azetidinesulfonic acid IUPAC Name: 3-amino-2-[(E)-4-ethoxy-4-oxobut-2-en-2-yl]-4-oxoazetidine-1-sulfonic acid Traditional Name: 3-amino-2-[(E)-3-ethoxy-3-keto-1-methyl-prop-1-enyl]-4-keto-azetidine-1-sulfonic acid Formula: C9H14N2O6S MolecularWeight: 278.28226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)C1C(C(=O)N1S(=O)(=O)O)N

Isomeric SMILES

CCOC(=O)/C=C(\C)/C1C(C(=O)N1S(=O)(=O)O)N

InChI

InChI=1S/C9H14N2O6S/c1-3-17-6(12)4-5(2)8-7(10)9(13)11(8)18(14,15)16/h4,7-8H,3,10H2,1-2H3,(H,14,15,16)/b5-4+