(4-bromanyl-2-chloranyl-6-methyl-phenyl) 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate

Systemtic Name: (4-bromanyl-2-chloranyl-6-methyl-phenyl) 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: (4-bromo-2-chloro-6-methyl-phenyl) 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid (4-bromo-2-chloro-6-methylphenyl) ester IUPAC Name: (4-bromo-2-chloro-6-methylphenyl) 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid (4-bromo-2-chloro-6-methyl-phenyl) ester Formula: C18H15BrClNO2S2 MolecularWeight: 456.8042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)CCCSC2=NC3=CC=CC=C3S2)Cl)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)CCCSC2=NC3=CC=CC=C3S2)Cl)Br

InChI

InChI=1S/C18H15BrClNO2S2/c1-11-9-12(19)10-13(20)17(11)23-16(22)7-4-8-24-18-21-14-5-2-3-6-15(14)25-18/h2-3,5-6,9-10H,4,7-8H2,1H3