methyl 3-[[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]benzoate Openeye Name: methyl 3-[[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]benzoate CAS Name: 3-[[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]benzoate Traditional Name: 3-[[2-(1,3-benzothiazol-2-yl)pyrrolidino]methyl]benzoic acid methyl ester Formula: C20H20N2O2S MolecularWeight: 352.45

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN2CCCC2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H20N2O2S/c1-24-20(23)15-7-4-6-14(12-15)13-22-11-5-9-17(22)19-21-16-8-2-3-10-18(16)25-19/h2-4,6-8,10,12,17H,5,9,11,13H2,1H3