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

Systemtic Name: 2-methoxycarbonyl-4-oxidanylidene-3-(phenylmethoxycarbonylamino)azetidine-1-sulfonic acid Openeye Name: 3-(benzyloxycarbonylamino)-2-methoxycarbonyl-4-oxo-azetidine-1-sulfonic acid CAS Name: 2-methoxycarbonyl-4-oxo-3-(phenylmethoxycarbonylamino)-1-azetidinesulfonic acid IUPAC Name: 2-methoxycarbonyl-4-oxo-3-(phenylmethoxycarbonylamino)azetidine-1-sulfonic acid Traditional Name: 3-(benzyloxycarbonylamino)-2-carbomethoxy-4-keto-azetidine-1-sulfonic acid Formula: C13H14N2O8S MolecularWeight: 358.32386

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(=O)N1S(=O)(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1C(C(=O)N1S(=O)(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C13H14N2O8S/c1-22-12(17)10-9(11(16)15(10)24(19,20)21)14-13(18)23-7-8-5-3-2-4-6-8/h2-6,9-10H,7H2,1H3,(H,14,18)(H,19,20,21)