[4-(4-fluorophenyl)carbonylphenyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate

Systemtic Name: [4-(4-fluorophenyl)carbonylphenyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: [4-(4-fluorobenzoyl)phenyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid [4-[(4-fluorophenyl)-oxomethyl]phenyl] ester IUPAC Name: [4-(4-fluorobenzoyl)phenyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid [4-(4-fluorobenzoyl)phenyl] ester Formula: C24H18FNO3S2 MolecularWeight: 451.533023

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)OC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)SCCCC(=O)OC3=CC=C(C=C3)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H18FNO3S2/c25-18-11-7-16(8-12-18)23(28)17-9-13-19(14-10-17)29-22(27)6-3-15-30-24-26-20-4-1-2-5-21(20)31-24/h1-2,4-5,7-14H,3,6,15H2