2-(fluoranylmethyl)-4-oxidanylidene-3-(phenylmethoxycarbonylamino)azetidine-1-sulfonic acid

Systemtic Name: 2-(fluoranylmethyl)-4-oxidanylidene-3-(phenylmethoxycarbonylamino)azetidine-1-sulfonic acid Openeye Name: 3-(benzyloxycarbonylamino)-2-(fluoromethyl)-4-oxo-azetidine-1-sulfonic acid CAS Name: 2-(fluoromethyl)-4-oxo-3-(phenylmethoxycarbonylamino)-1-azetidinesulfonic acid IUPAC Name: 2-(fluoromethyl)-4-oxo-3-(phenylmethoxycarbonylamino)azetidine-1-sulfonic acid Traditional Name: 3-(benzyloxycarbonylamino)-2-(fluoromethyl)-4-keto-azetidine-1-sulfonic acid Formula: C12H13FN2O6S MolecularWeight: 332.304823

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2C(N(C2=O)S(=O)(=O)O)CF

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2C(N(C2=O)S(=O)(=O)O)CF

InChI

InChI=1S/C12H13FN2O6S/c13-6-9-10(11(16)15(9)22(18,19)20)14-12(17)21-7-8-4-2-1-3-5-8/h1-5,9-10H,6-7H2,(H,14,17)(H,18,19,20)