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

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)but-2-ynyl 4-bromanylbenzoate Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)but-2-ynyl 4-bromobenzoate CAS Name: 4-bromobenzoic acid 4-(1,3-benzothiazol-2-ylthio)but-2-ynyl ester IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)but-2-ynyl 4-bromobenzoate Traditional Name: 4-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=C2C(=C1)N=C(S2)SCC#CCOC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCC#CCOC(=O)C3=CC=C(C=C3)Br

InChI

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