6-(carboxymethyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid

Systemtic Name: 6-(carboxymethyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Openeye Name: 6-(carboxymethyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid CAS Name: 6-(carboxymethyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid IUPAC Name: 6-(carboxymethyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Traditional Name: 6-(carboxymethyl)-4-mesyl-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid Formula: C12H13NO7S MolecularWeight: 315.29912

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC(OC2=C1C=C(C=C2)CC(=O)O)C(=O)O

Isomeric SMILES

CS(=O)(=O)N1CC(OC2=C1C=C(C=C2)CC(=O)O)C(=O)O

InChI

InChI=1S/C12H13NO7S/c1-21(18,19)13-6-10(12(16)17)20-9-3-2-7(4-8(9)13)5-11(14)15/h2-4,10H,5-6H2,1H3,(H,14,15)(H,16,17)