ethanoic acid; methyl 5,5-dimethyl-2-(2-methyl-3-oxidanyl-5-phosphonooxy-pyridin-4-yl)-1,3-thiazolidine-4-carboxylate

Systemtic Name: ethanoic acid; methyl 5,5-dimethyl-2-(2-methyl-3-oxidanyl-5-phosphonooxy-pyridin-4-yl)-1,3-thiazolidine-4-carboxylate Openeye Name: acetic acid; methyl 2-(3-hydroxy-2-methyl-5-phosphonooxy-4-pyridyl)-5,5-dimethyl-thiazolidine-4-carboxylate CAS Name: acetic acid; 2-(3-hydroxy-2-methyl-5-phosphonooxy-4-pyridinyl)-5,5-dimethyl-4-thiazolidinecarboxylic acid methyl ester IUPAC Name: acetic acid; methyl 2-(3-hydroxy-2-methyl-5-phosphonooxypyridin-4-yl)-5,5-dimethyl-1,3-thiazolidine-4-carboxylate Traditional Name: acetic acid; 2-(3-hydroxy-2-methyl-5-phosphonooxy-4-pyridyl)-5,5-dimethyl-thiazolidine-4-carboxylic acid methyl ester Formula: C15H23N2O9PS MolecularWeight: 438.389881

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)C2NC(C(S2)(C)C)C(=O)OC)OP(=O)(O)O.CC(=O)O

Isomeric SMILES

CC1=NC=C(C(=C1O)C2NC(C(S2)(C)C)C(=O)OC)OP(=O)(O)O.CC(=O)O

InChI

InChI=1S/C13H19N2O7PS.C2H4O2/c1-6-9(16)8(7(5-14-6)22-23(18,19)20)11-15-10(12(17)21-4)13(2,3)24-11;1-2(3)4/h5,10-11,15-16H,1-4H3,(H2,18,19,20);1H3,(H,3,4)