1,3-benzothiazol-2-ylmethyl 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetate CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)thio]acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(4-bromo-2,5-dimethylphenyl)sulfanylacetate Traditional Name: 2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H16BrNO2S2 MolecularWeight: 422.35914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H16BrNO2S2/c1-11-8-16(12(2)7-13(11)19)23-10-18(21)22-9-17-20-14-5-3-4-6-15(14)24-17/h3-8H,9-10H2,1-2H3