(2S)-4-(4-methoxyphenyl)sulfonyl-6-(2-oxidanidyl-2-oxidanylidene-ethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate

Systemtic Name: (2S)-4-(4-methoxyphenyl)sulfonyl-6-(2-oxidanidyl-2-oxidanylidene-ethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate Openeye Name: (2S)-4-(4-methoxyphenyl)sulfonyl-6-(2-oxido-2-oxo-ethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate CAS Name: (2S)-4-(4-methoxyphenyl)sulfonyl-6-(2-oxido-2-oxoethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate IUPAC Name: (2S)-4-(4-methoxyphenyl)sulfonyl-6-(2-oxido-2-oxoethyl)-2,3-dihydro-1,4-benzoxazine-2-carboxylate Traditional Name: (2S)-6-(2-keto-2-oxido-ethyl)-4-(4-methoxyphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate Formula: C18H15NO8S-2 MolecularWeight: 405.3786

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)S(=O)(=O)N2CC(OC3=C2C=C(C=C3)CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)S(=O)(=O)N2C[C@H](OC3=C2C=C(C=C3)CC(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C18H17NO8S/c1-26-12-3-5-13(6-4-12)28(24,25)19-10-16(18(22)23)27-15-7-2-11(8-14(15)19)9-17(20)21/h2-8,16H,9-10H2,1H3,(H,20,21)(H,22,23)/p-2/t16-/m0/s1