methyl N-[7-(2-bromanyl-1-oxidanyl-ethyl)-4-methoxy-1,3-benzothiazol-2-yl]carbamate

Systemtic Name: methyl N-[7-(2-bromanyl-1-oxidanyl-ethyl)-4-methoxy-1,3-benzothiazol-2-yl]carbamate Openeye Name: methyl N-[7-(2-bromo-1-hydroxy-ethyl)-4-methoxy-1,3-benzothiazol-2-yl]carbamate CAS Name: N-[7-(2-bromo-1-hydroxyethyl)-4-methoxy-1,3-benzothiazol-2-yl]carbamic acid methyl ester IUPAC Name: methyl N-[7-(2-bromo-1-hydroxyethyl)-4-methoxy-1,3-benzothiazol-2-yl]carbamate Traditional Name: N-[7-(2-bromo-1-hydroxy-ethyl)-4-methoxy-1,3-benzothiazol-2-yl]carbamic acid methyl ester Formula: C12H13BrN2O4S MolecularWeight: 361.21162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=C(C=C1)C(CBr)O)SC(=N2)NC(=O)OC

Isomeric SMILES

COC1=C2C(=C(C=C1)C(CBr)O)SC(=N2)NC(=O)OC

InChI

InChI=1S/C12H13BrN2O4S/c1-18-8-4-3-6(7(16)5-13)10-9(8)14-11(20-10)15-12(17)19-2/h3-4,7,16H,5H2,1-2H3,(H,14,15,17)