methyl 2-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-1,3-thiazolidine-4-carboxylate

Systemtic Name: methyl 2-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-1,3-thiazolidine-4-carboxylate Openeye Name: methyl 2-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]thiazolidine-4-carboxylate CAS Name: 2-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridinyl]-4-thiazolidinecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]-1,3-thiazolidine-4-carboxylate Traditional Name: 2-[3-hydroxy-2-methyl-5-(phosphonooxymethyl)-4-pyridyl]thiazolidine-4-carboxylic acid methyl ester Formula: C12H17N2O7PS MolecularWeight: 364.311341

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)C2NC(CS2)C(=O)OC)COP(=O)(O)O

Isomeric SMILES

CC1=NC=C(C(=C1O)C2NC(CS2)C(=O)OC)COP(=O)(O)O

InChI

InChI=1S/C12H17N2O7PS/c1-6-10(15)9(7(3-13-6)4-21-22(17,18)19)11-14-8(5-23-11)12(16)20-2/h3,8,11,14-15H,4-5H2,1-2H3,(H2,17,18,19)