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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-bromanyl-5-methoxy-benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-bromo-5-methoxy-benzoate CAS Name: 2-bromo-5-methoxybenzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-bromo-5-methoxybenzoate Traditional Name: 2-bromo-5-methoxy-benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C16H12BrNO3S MolecularWeight: 378.24038

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=CC(=C(C=C1)Br)C(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H12BrNO3S/c1-20-10-6-7-12(17)11(8-10)16(19)21-9-15-18-13-4-2-3-5-14(13)22-15/h2-8H,9H2,1H3