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

Systemtic Name: 4-(1,3-benzoxazol-2-ylsulfanyl)but-2-ynyl 2-bromanylbenzoate Openeye Name: 4-(1,3-benzoxazol-2-ylsulfanyl)but-2-ynyl 2-bromobenzoate CAS Name: 2-bromobenzoic acid 4-(1,3-benzoxazol-2-ylthio)but-2-ynyl ester IUPAC Name: 4-(1,3-benzoxazol-2-ylsulfanyl)but-2-ynyl 2-bromobenzoate Traditional Name: 2-bromobenzoic acid 4-(1,3-benzoxazol-2-ylthio)but-2-ynyl ester Formula: C18H12BrNO3S MolecularWeight: 402.26178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC#CCSC2=NC3=CC=CC=C3O2)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC#CCSC2=NC3=CC=CC=C3O2)Br

InChI

InChI=1S/C18H12BrNO3S/c19-14-8-2-1-7-13(14)17(21)22-11-5-6-12-24-18-20-15-9-3-4-10-16(15)23-18/h1-4,7-10H,11-12H2