1,3-benzothiazol-2-ylmethyl 3-bromanyl-4-methoxy-benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-bromanyl-4-methoxy-benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-bromo-4-methoxy-benzoate CAS Name: 3-bromo-4-methoxybenzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-bromo-4-methoxybenzoate Traditional Name: 3-bromo-4-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=C(C=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3S2)Br

Isomeric SMILES

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

InChI

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