3-(1,3-benzothiazol-2-yl)-1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propan-1-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propan-1-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propan-1-one CAS Name: 3-(1,3-benzothiazol-2-yl)-1-[2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-1-propanone IUPAC Name: 3-(1,3-benzothiazol-2-yl)-1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]propan-1-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-1-[2-(2,5-dimethoxyphenyl)pyrrolidino]propan-1-one Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)CCC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)CCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H24N2O3S/c1-26-15-9-10-19(27-2)16(14-15)18-7-5-13-24(18)22(25)12-11-21-23-17-6-3-4-8-20(17)28-21/h3-4,6,8-10,14,18H,5,7,11-13H2,1-2H3