1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone

Systemtic Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone Openeye Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone CAS Name: 1-[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-2-(3,4,5-trimethoxyphenyl)ethanone IUPAC Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone Traditional Name: 1-[2-(1,3-benzothiazol-2-yl)pyrrolidino]-2-(3,4,5-trimethoxyphenyl)ethanone Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CC(=O)N2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CC(=O)N2CCCC2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H24N2O4S/c1-26-17-11-14(12-18(27-2)21(17)28-3)13-20(25)24-10-6-8-16(24)22-23-15-7-4-5-9-19(15)29-22/h4-5,7,9,11-12,16H,6,8,10,13H2,1-3H3