2-(2-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-3H-1,4-benzoxazin-4-yl)ethanoic acid

Systemtic Name: 2-(2-oxidanylidene-6-pyrrolidin-1-ylsulfonyl-3H-1,4-benzoxazin-4-yl)ethanoic acid Openeye Name: 2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-3H-1,4-benzoxazin-4-yl)acetic acid CAS Name: 2-[2-oxo-6-(1-pyrrolidinylsulfonyl)-3H-1,4-benzoxazin-4-yl]acetic acid IUPAC Name: 2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-3H-1,4-benzoxazin-4-yl)acetic acid Traditional Name: 2-(2-keto-6-pyrrolidinosulfonyl-3H-1,4-benzoxazin-4-yl)acetic acid Formula: C14H16N2O6S MolecularWeight: 340.35164

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)OC(=O)CN3CC(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(C=C2)OC(=O)CN3CC(=O)O

InChI

InChI=1S/C14H16N2O6S/c17-13(18)8-15-9-14(19)22-12-4-3-10(7-11(12)15)23(20,21)16-5-1-2-6-16/h3-4,7H,1-2,5-6,8-9H2,(H,17,18)