3-[(3-acetamido-2-oxidanylidene-chromen-6-yl)sulfonylamino]propanoic acid

Systemtic Name: 3-[(3-acetamido-2-oxidanylidene-chromen-6-yl)sulfonylamino]propanoic acid Openeye Name: 3-[(3-acetamido-2-oxo-chromen-6-yl)sulfonylamino]propanoic acid CAS Name: 3-[(3-acetamido-2-oxo-1-benzopyran-6-yl)sulfonylamino]propanoic acid IUPAC Name: 3-[(3-acetamido-2-oxochromen-6-yl)sulfonylamino]propanoic acid Traditional Name: 3-[(3-acetamido-2-keto-chromen-6-yl)sulfonylamino]propionic acid Formula: C14H14N2O7S MolecularWeight: 354.33516

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=CC(=C2)S(=O)(=O)NCCC(=O)O)OC1=O

Isomeric SMILES

CC(=O)NC1=CC2=C(C=CC(=C2)S(=O)(=O)NCCC(=O)O)OC1=O

InChI

InChI=1S/C14H14N2O7S/c1-8(17)16-11-7-9-6-10(2-3-12(9)23-14(11)20)24(21,22)15-5-4-13(18)19/h2-3,6-7,15H,4-5H2,1H3,(H,16,17)(H,18,19)