2-[[2-(2-cyano-3-ethoxy-3-oxidanylidene-propanoyl)phenyl]sulfonylamino]ethanoic acid

Systemtic Name: 2-[[2-(2-cyano-3-ethoxy-3-oxidanylidene-propanoyl)phenyl]sulfonylamino]ethanoic acid Openeye Name: 2-[[2-(2-cyano-3-ethoxy-3-oxo-propanoyl)phenyl]sulfonylamino]acetic acid CAS Name: 2-[[2-(2-cyano-3-ethoxy-1,3-dioxopropyl)phenyl]sulfonylamino]acetic acid IUPAC Name: 2-[[2-(2-cyano-3-ethoxy-3-oxopropanoyl)phenyl]sulfonylamino]acetic acid Traditional Name: 2-[[2-(2-cyano-3-ethoxy-3-keto-propanoyl)phenyl]sulfonylamino]acetic acid Formula: C14H14N2O7S MolecularWeight: 354.33516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(=O)C1=CC=CC=C1S(=O)(=O)NCC(=O)O

Isomeric SMILES

CCOC(=O)C(C#N)C(=O)C1=CC=CC=C1S(=O)(=O)NCC(=O)O

InChI

InChI=1S/C14H14N2O7S/c1-2-23-14(20)10(7-15)13(19)9-5-3-4-6-11(9)24(21,22)16-8-12(17)18/h3-6,10,16H,2,8H2,1H3,(H,17,18)