[4-(9-bromanyl-2,3-dimethyl-benzo[f][1]benzothiol-4-yl)-2-methyl-phenyl] ethanoate

Systemtic Name: [4-(9-bromanyl-2,3-dimethyl-benzo[f][1]benzothiol-4-yl)-2-methyl-phenyl] ethanoate Openeye Name: [4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-2-methyl-phenyl] acetate CAS Name: acetic acid [4-(9-bromo-2,3-dimethyl-4-benzo[f][1]benzothiolyl)-2-methylphenyl] ester IUPAC Name: [4-(9-bromo-2,3-dimethylbenzo[f][1]benzothiol-4-yl)-2-methylphenyl] acetate Traditional Name: acetic acid [4-(9-bromo-2,3-dimethyl-benzo[f]benzothiophen-4-yl)-2-methyl-phenyl] ester Formula: C23H19BrO2S MolecularWeight: 439.36476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=C3C(=C(SC3=C(C4=CC=CC=C42)Br)C)C)OC(=O)C

Isomeric SMILES

CC1=C(C=CC(=C1)C2=C3C(=C(SC3=C(C4=CC=CC=C42)Br)C)C)OC(=O)C

InChI

InChI=1S/C23H19BrO2S/c1-12-11-16(9-10-19(12)26-15(4)25)21-17-7-5-6-8-18(17)22(24)23-20(21)13(2)14(3)27-23/h5-11H,1-4H3