[9-bromanyl-4-(4-methoxy-3,5-dimethyl-phenyl)-3-methyl-benzo[f][1]benzothiol-2-yl]methyl ethanoate

Systemtic Name: [9-bromanyl-4-(4-methoxy-3,5-dimethyl-phenyl)-3-methyl-benzo[f][1]benzothiol-2-yl]methyl ethanoate Openeye Name: [9-bromo-4-(4-methoxy-3,5-dimethyl-phenyl)-3-methyl-benzo[f]benzothiophen-2-yl]methyl acetate CAS Name: acetic acid [9-bromo-4-(4-methoxy-3,5-dimethylphenyl)-3-methyl-2-benzo[f][1]benzothiolyl]methyl ester IUPAC Name: [9-bromo-4-(4-methoxy-3,5-dimethylphenyl)-3-methylbenzo[f][1]benzothiol-2-yl]methyl acetate Traditional Name: acetic acid [9-bromo-4-(4-methoxy-3,5-dimethyl-phenyl)-3-methyl-benzo[f]benzothiophen-2-yl]methyl ester Formula: C25H23BrO3S MolecularWeight: 483.41732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC)C)C2=C3C(=C(SC3=C(C4=CC=CC=C42)Br)COC(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1OC)C)C2=C3C(=C(SC3=C(C4=CC=CC=C42)Br)COC(=O)C)C

InChI

InChI=1S/C25H23BrO3S/c1-13-10-17(11-14(2)24(13)28-5)22-18-8-6-7-9-19(18)23(26)25-21(22)15(3)20(30-25)12-29-16(4)27/h6-11H,12H2,1-5H3