2-(1,3-benzothiazol-2-ylmethoxy)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CCCN2C(=O)COCC3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CCCN2C(=O)COCC3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C22H24N2O4S/c1-26-18-10-9-15(12-19(18)27-2)17-7-5-11-24(17)22(25)14-28-13-21-23-16-6-3-4-8-20(16)29-21/h3-4,6,8-10,12,17H,5,7,11,13-14H2,1-2H3