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

Systemtic Name: [2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] 2-phenoxyethanoate Openeye Name: [2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] 2-phenoxyacetate CAS Name: 2-phenoxyacetic 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-phenoxyacetate Traditional Name: 2-phenoxyacetic acid [2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] ester Formula: C25H24O3S2 MolecularWeight: 436.58626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2CSC(SCC2=C1)C3=CC=CC=C3OC(=O)COC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2CSC(SCC2=C1)C3=CC=CC=C3OC(=O)COC4=CC=CC=C4)C

InChI

InChI=1S/C25H24O3S2/c1-17-12-19-15-29-25(30-16-20(19)13-18(17)2)22-10-6-7-11-23(22)28-24(26)14-27-21-8-4-3-5-9-21/h3-13,25H,14-16H2,1-2H3