(5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (5-oxidanylidene-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: (5-oxothiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid (5-oxo-7-thiazolo[3,2-a]pyrimidinyl)methyl ester IUPAC Name: (5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methyl 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid (5-ketothiazolo[3,2-a]pyrimidin-7-yl)methyl ester Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC3=CC(=O)N4C=CSC4=N3

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC3=CC(=O)N4C=CSC4=N3

InChI

InChI=1S/C20H21N3O5S2/c1-14-5-6-16(30(26,27)22-7-3-2-4-8-22)12-17(14)19(25)28-13-15-11-18(24)23-9-10-29-20(23)21-15/h5-6,9-12H,2-4,7-8,13H2,1H3