2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(2,4-dimethoxyphenyl)ethanamide

Systemtic Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(2,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(2,4-dimethoxyphenyl)acetamide CAS Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-N-(2,4-dimethoxyphenyl)acetamide IUPAC Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(2,4-dimethoxyphenyl)acetamide Traditional Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-N-(2,4-dimethoxyphenyl)acetamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CN2CCCC2C3=NC4=CC=CC=C4S3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CN2CCC[C@@H]2C3=NC4=CC=CC=C4S3)OC

InChI

InChI=1S/C21H23N3O3S/c1-26-14-9-10-15(18(12-14)27-2)22-20(25)13-24-11-5-7-17(24)21-23-16-6-3-4-8-19(16)28-21/h3-4,6,8-10,12,17H,5,7,11,13H2,1-2H3,(H,22,25)/t17-/m1/s1