2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]ethanone Formula: C22H22N2O3S2 MolecularWeight: 426.55168

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSCC2=NC3=CC=CC=C3S2)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CC(N(C1)C(=O)CSCC2=NC3=CC=CC=C3S2)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C22H22N2O3S2/c25-22(14-28-13-21-23-16-4-1-2-6-20(16)29-21)24-9-3-5-17(24)15-7-8-18-19(12-15)27-11-10-26-18/h1-2,4,6-8,12,17H,3,5,9-11,13-14H2