(3E)-3-(6-ethylsulfonyl-2-oxidanylidene-4H-1,4-benzoxazin-3-ylidene)propanoic acid

Systemtic Name: (3E)-3-(6-ethylsulfonyl-2-oxidanylidene-4H-1,4-benzoxazin-3-ylidene)propanoic acid Openeye Name: (3E)-3-(6-ethylsulfonyl-2-oxo-4H-1,4-benzoxazin-3-ylidene)propanoic acid CAS Name: (3E)-3-(6-ethylsulfonyl-2-oxo-4H-1,4-benzoxazin-3-ylidene)propanoic acid IUPAC Name: (3E)-3-(6-ethylsulfonyl-2-oxo-4H-1,4-benzoxazin-3-ylidene)propanoic acid Traditional Name: (3E)-3-(6-esyl-2-keto-4H-1,4-benzoxazin-3-ylidene)propionic acid Formula: C13H13NO6S MolecularWeight: 311.31042

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=O)C(=CCC(=O)O)N2

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=O)/C(=C\CC(=O)O)/N2

InChI

InChI=1S/C13H13NO6S/c1-2-21(18,19)8-3-5-11-10(7-8)14-9(13(17)20-11)4-6-12(15)16/h3-5,7,14H,2,6H2,1H3,(H,15,16)/b9-4+