[2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] 2-fluoranylbenzoate

Systemtic Name: [2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] 2-fluoranylbenzoate Openeye Name: [2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid [2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] ester IUPAC Name: [2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid [2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] ester Formula: C24H21FO2S2 MolecularWeight: 424.550743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2CSC(SCC2=C1)C3=CC=CC=C3OC(=O)C4=CC=CC=C4F)C

Isomeric SMILES

CC1=C(C=C2CSC(SCC2=C1)C3=CC=CC=C3OC(=O)C4=CC=CC=C4F)C

InChI

InChI=1S/C24H21FO2S2/c1-15-11-17-13-28-24(29-14-18(17)12-16(15)2)20-8-4-6-10-22(20)27-23(26)19-7-3-5-9-21(19)25/h3-12,24H,13-14H2,1-2H3