(5-methoxycarbonylfuran-2-yl)methyl 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-4-carboxylate

Systemtic Name: (5-methoxycarbonylfuran-2-yl)methyl 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-4-carboxylate Openeye Name: (5-methoxycarbonyl-2-furyl)methyl 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxylate CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-4-piperidinecarboxylic acid (5-methoxycarbonyl-2-furanyl)methyl ester IUPAC Name: (5-methoxycarbonylfuran-2-yl)methyl 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-4-carboxylate Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)isonipecotic acid (5-carbomethoxy-2-furyl)methyl ester Formula: C20H20N2O7S MolecularWeight: 432.447

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)COC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

COC(=O)C1=CC=C(O1)COC(=O)C2CCN(CC2)C3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H20N2O7S/c1-27-20(24)16-7-6-14(29-16)12-28-19(23)13-8-10-22(11-9-13)18-15-4-2-3-5-17(15)30(25,26)21-18/h2-7,13H,8-12H2,1H3