[(2-azanyl-7-bromanyl-6-methyl-1,3-benzothiazol-4-yl)oxy-(2-methylpropanoyloxymethoxy)phosphoryl]oxymethyl 2-methylpropanoate

Systemtic Name: [(2-azanyl-7-bromanyl-6-methyl-1,3-benzothiazol-4-yl)oxy-(2-methylpropanoyloxymethoxy)phosphoryl]oxymethyl 2-methylpropanoate Openeye Name: [(2-amino-7-bromo-6-methyl-1,3-benzothiazol-4-yl)oxy-(2-methylpropanoyloxymethoxy)phosphoryl]oxymethyl 2-methylpropanoate CAS Name: 2-methylpropanoic acid [(2-amino-7-bromo-6-methyl-1,3-benzothiazol-4-yl)oxy-[(2-methyl-1-oxopropoxy)methoxy]phosphoryl]oxymethyl ester IUPAC Name: [(2-amino-7-bromo-6-methyl-1,3-benzothiazol-4-yl)oxy-(2-methylpropanoyloxymethoxy)phosphoryl]oxymethyl 2-methylpropanoate Traditional Name: 2-methylpropionic acid [(2-amino-7-bromo-6-methyl-1,3-benzothiazol-4-yl)oxy-(isobutyryloxymethoxy)phosphoryl]oxymethyl ester Formula: C18H24BrN2O8PS MolecularWeight: 539.334521

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1Br)SC(=N2)N)OP(=O)(OCOC(=O)C(C)C)OCOC(=O)C(C)C

Isomeric SMILES

CC1=CC(=C2C(=C1Br)SC(=N2)N)OP(=O)(OCOC(=O)C(C)C)OCOC(=O)C(C)C

InChI

InChI=1S/C18H24BrN2O8PS/c1-9(2)16(22)25-7-27-30(24,28-8-26-17(23)10(3)4)29-12-6-11(5)13(19)15-14(12)21-18(20)31-15/h6,9-10H,7-8H2,1-5H3,(H2,20,21)