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4-(1,3-benzothiazol-2-ylsulfanyl)but-2-ynyl 2-bromanylbenzoate

4-(1,3-benzothiazol-2-ylsulfanyl)but-2-ynyl 2-bromanylbenzoate

Systemtic Name:4-(1,3-benzothiazol-2-ylsulfanyl)but-2-ynyl 2-bromanylbenzoate
Openeye Name:4-(1,3-benzothiazol-2-ylsulfanyl)but-2-ynyl 2-bromobenzoate
CAS Name:2-bromobenzoic acid 4-(1,3-benzothiazol-2-ylthio)but-2-ynyl ester
IUPAC Name:4-(1,3-benzothiazol-2-ylsulfanyl)but-2-ynyl 2-bromobenzoate
Traditional Name:2-bromobenzoic acid 4-(1,3-benzothiazol-2-ylthio)but-2-ynyl ester
Formula: C18H12BrNO2S2
MolecularWeight: 418.32738
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC#CCSC2=NC3=CC=CC=C3S2)Br


Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC#CCSC2=NC3=CC=CC=C3S2)Br


InChI

InChI=1S/C18H12BrNO2S2/c19-14-8-2-1-7-13(14)17(21)22-11-5-6-12-23-18-20-15-9-3-4-10-16(15)24-18/h1-4,7-10H,11-12H2


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