2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)-1-[2-(4-methoxyphenyl)-1-pyrrolidinyl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylmethylthio)-1-[2-(4-methoxyphenyl)pyrrolidino]ethanone Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCN2C(=O)CSCC3=NC4=CC=CC=C4S3

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCN2C(=O)CSCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H22N2O2S2/c1-25-16-10-8-15(9-11-16)18-6-4-12-23(18)21(24)14-26-13-20-22-17-5-2-3-7-19(17)27-20/h2-3,5,7-11,18H,4,6,12-14H2,1H3