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

Systemtic Name: [4-[9-bromanyl-2-(diethylaminomethyl)-3-methyl-benzo[f][1]benzothiol-4-yl]phenyl] ethanoate Openeye Name: [4-[9-bromo-2-(diethylaminomethyl)-3-methyl-benzo[f]benzothiophen-4-yl]phenyl] acetate CAS Name: acetic acid [4-[9-bromo-2-(diethylaminomethyl)-3-methyl-4-benzo[f][1]benzothiolyl]phenyl] ester IUPAC Name: [4-[9-bromo-2-(diethylaminomethyl)-3-methylbenzo[f][1]benzothiol-4-yl]phenyl] acetate Traditional Name: acetic acid [4-[9-bromo-2-(diethylaminomethyl)-3-methyl-benzo[f]benzothiophen-4-yl]phenyl] ester Formula: C26H26BrNO2S MolecularWeight: 496.45914

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=C(C2=C(C3=CC=CC=C3C(=C2S1)Br)C4=CC=C(C=C4)OC(=O)C)C

Isomeric SMILES

CCN(CC)CC1=C(C2=C(C3=CC=CC=C3C(=C2S1)Br)C4=CC=C(C=C4)OC(=O)C)C

InChI

InChI=1S/C26H26BrNO2S/c1-5-28(6-2)15-22-16(3)23-24(18-11-13-19(14-12-18)30-17(4)29)20-9-7-8-10-21(20)25(27)26(23)31-22/h7-14H,5-6,15H2,1-4H3