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

Systemtic Name: 2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)ethanamide Openeye Name: 2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide CAS Name: 2-[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-N-(3,4,5-trimethoxyphenyl)acetamide IUPAC Name: 2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide Traditional Name: 2-[2-(1,3-benzothiazol-2-yl)pyrrolidino]-N-(3,4,5-trimethoxyphenyl)acetamide Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)CN2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)CN2CCCC2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3O4S/c1-27-17-11-14(12-18(28-2)21(17)29-3)23-20(26)13-25-10-6-8-16(25)22-24-15-7-4-5-9-19(15)30-22/h4-5,7,9,11-12,16H,6,8,10,13H2,1-3H3,(H,23,26)