[(2-azanyl-1,3-benzothiazol-4-yl)oxy-(2-methylpropanoyloxymethoxy)phosphoryl]oxymethyl 2-methylpropanoate

Systemtic Name: [(2-azanyl-1,3-benzothiazol-4-yl)oxy-(2-methylpropanoyloxymethoxy)phosphoryl]oxymethyl 2-methylpropanoate Openeye Name: [(2-amino-1,3-benzothiazol-4-yl)oxy-(2-methylpropanoyloxymethoxy)phosphoryl]oxymethyl 2-methylpropanoate CAS Name: 2-methylpropanoic acid [(2-amino-1,3-benzothiazol-4-yl)oxy-[(2-methyl-1-oxopropoxy)methoxy]phosphoryl]oxymethyl ester IUPAC Name: [(2-amino-1,3-benzothiazol-4-yl)oxy-(2-methylpropanoyloxymethoxy)phosphoryl]oxymethyl 2-methylpropanoate Traditional Name: 2-methylpropionic acid [(2-amino-1,3-benzothiazol-4-yl)oxy-(isobutyryloxymethoxy)phosphoryl]oxymethyl ester Formula: C17H23N2O8PS MolecularWeight: 446.411881

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OCOP(=O)(OCOC(=O)C(C)C)OC1=C2C(=CC=C1)SC(=N2)N

Isomeric SMILES

CC(C)C(=O)OCOP(=O)(OCOC(=O)C(C)C)OC1=C2C(=CC=C1)SC(=N2)N

InChI

InChI=1S/C17H23N2O8PS/c1-10(2)15(20)23-8-25-28(22,26-9-24-16(21)11(3)4)27-12-6-5-7-13-14(12)19-17(18)29-13/h5-7,10-11H,8-9H2,1-4H3,(H2,18,19)