2-(4-bromophenyl)sulfanyl-1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone

Systemtic Name: 2-(4-bromophenyl)sulfanyl-1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Openeye Name: 2-(4-bromophenyl)sulfanyl-1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone CAS Name: 2-[(4-bromophenyl)thio]-1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-3-pyrrolyl]ethanone IUPAC Name: 2-(4-bromophenyl)sulfanyl-1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethylpyrrol-3-yl]ethanone Traditional Name: 2-[(4-bromophenyl)thio]-1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]ethanone Formula: C23H22BrNO3S MolecularWeight: 472.39468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2COC3=CC=CC=C3O2)C)C(=O)CSC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC(=C(N1CC2COC3=CC=CC=C3O2)C)C(=O)CSC4=CC=C(C=C4)Br

InChI

InChI=1S/C23H22BrNO3S/c1-15-11-20(21(26)14-29-19-9-7-17(24)8-10-19)16(2)25(15)12-18-13-27-22-5-3-4-6-23(22)28-18/h3-11,18H,12-14H2,1-2H3