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

Systemtic Name: [2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] 2-phenylethanoate Openeye Name: [2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] 2-phenylacetate CAS Name: 2-phenylacetic 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-phenylacetate Traditional Name: 2-phenylacetic acid [2-(7,8-dimethyl-1,5-dihydro-2,4-benzodithiepin-3-yl)phenyl] ester Formula: C25H24O2S2 MolecularWeight: 420.58686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2CSC(SCC2=C1)C3=CC=CC=C3OC(=O)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C=C2CSC(SCC2=C1)C3=CC=CC=C3OC(=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H24O2S2/c1-17-12-20-15-28-25(29-16-21(20)13-18(17)2)22-10-6-7-11-23(22)27-24(26)14-19-8-4-3-5-9-19/h3-13,25H,14-16H2,1-2H3