2-(1,3-benzothiazol-2-ylsulfanyl)-1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylthio)-1-[(2R)-2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-1-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidino]ethanone Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2CCCN2C(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)[C@H]2CCCN2C(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2O3S2/c1-25-14-9-10-18(26-2)15(12-14)17-7-5-11-23(17)20(24)13-27-21-22-16-6-3-4-8-19(16)28-21/h3-4,6,8-10,12,17H,5,7,11,13H2,1-2H3/t17-/m1/s1