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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylthio)-1-[2-(3,4-dimethoxyphenyl)-1-pyrrolidinyl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-1-[2-(3,4-dimethoxyphenyl)pyrrolidino]ethanone Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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