(2-bromophenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: (2-bromophenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: (2-bromophenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid (2-bromophenyl)methyl ester IUPAC Name: (2-bromophenyl)methyl 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid (2-bromobenzyl) ester Formula: C16H12BrNO2S2 MolecularWeight: 394.30598

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)CSC2=NC3=CC=CC=C3S2)Br

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)CSC2=NC3=CC=CC=C3S2)Br

InChI

InChI=1S/C16H12BrNO2S2/c17-12-6-2-1-5-11(12)9-20-15(19)10-21-16-18-13-7-3-4-8-14(13)22-16/h1-8H,9-10H2