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

Systemtic Name: (5-methoxycarbonyl-4-methyl-furan-2-yl)methyl 1-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperidine-3-carboxylate Openeye Name: (5-methoxycarbonyl-4-methyl-2-furyl)methyl 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylate CAS Name: 1-(1,1-dioxo-1,2-benzothiazol-3-yl)-3-piperidinecarboxylic acid (5-methoxycarbonyl-4-methyl-2-furanyl)methyl ester IUPAC Name: (5-methoxycarbonyl-4-methylfuran-2-yl)methyl 1-(1,1-dioxo-1,2-benzothiazol-3-yl)piperidine-3-carboxylate Traditional Name: 1-(1,1-diketo-1,2-benzothiazol-3-yl)nipecotic acid (5-carbomethoxy-4-methyl-2-furyl)methyl ester Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)COC(=O)C2CCCN(C2)C3=NS(=O)(=O)C4=CC=CC=C43)C(=O)OC

Isomeric SMILES

CC1=C(OC(=C1)COC(=O)C2CCCN(C2)C3=NS(=O)(=O)C4=CC=CC=C43)C(=O)OC

InChI

InChI=1S/C21H22N2O7S/c1-13-10-15(30-18(13)21(25)28-2)12-29-20(24)14-6-5-9-23(11-14)19-16-7-3-4-8-17(16)31(26,27)22-19/h3-4,7-8,10,14H,5-6,9,11-12H2,1-2H3