1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanone

Systemtic Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(5-chloranyl-1,3-benzothiazol-2-yl)sulfanyl]ethanone Openeye Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]ethanone CAS Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-3-pyrrolyl]-2-[(5-chloro-1,3-benzothiazol-2-yl)thio]ethanone IUPAC Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]ethanone Traditional Name: 2-[(5-chloro-1,3-benzothiazol-2-yl)thio]-1-(2,5-dimethyl-1-piperonyl-pyrrol-3-yl)ethanone Formula: C23H19ClN2O3S2 MolecularWeight: 470.99156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)CSC4=NC5=C(S4)C=CC(=C5)Cl

Isomeric SMILES

CC1=CC(=C(N1CC2=CC3=C(C=C2)OCO3)C)C(=O)CSC4=NC5=C(S4)C=CC(=C5)Cl

InChI

InChI=1S/C23H19ClN2O3S2/c1-13-7-17(14(2)26(13)10-15-3-5-20-21(8-15)29-12-28-20)19(27)11-30-23-25-18-9-16(24)4-6-22(18)31-23/h3-9H,10-12H2,1-2H3