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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylthio)-1-[2-(4-ethoxyphenyl)-1-pyrrolidinyl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-1-(2-p-phenetylpyrrolidino)ethanone Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2CCCN2C(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC1=CC=C(C=C1)C2CCCN2C(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2O2S2/c1-2-25-16-11-9-15(10-12-16)18-7-5-13-23(18)20(24)14-26-21-22-17-6-3-4-8-19(17)27-21/h3-4,6,8-12,18H,2,5,7,13-14H2,1H3