1,3-benzothiazol-2-ylmethyl 5-bromanyl-2-oxidanyl-benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 5-bromanyl-2-oxidanyl-benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 5-bromo-2-hydroxy-benzoate CAS Name: 5-bromo-2-hydroxybenzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 5-bromo-2-hydroxybenzoate Traditional Name: 5-bromo-2-hydroxy-benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C15H10BrNO3S MolecularWeight: 364.2138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=C(C=CC(=C3)Br)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C15H10BrNO3S/c16-9-5-6-12(18)10(7-9)15(19)20-8-14-17-11-3-1-2-4-13(11)21-14/h1-7,18H,8H2