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

Systemtic Name: methyl 2-[[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]furan-3-carboxylate Openeye Name: methyl 2-[[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]furan-3-carboxylate CAS Name: 2-[[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]furan-3-carboxylate Traditional Name: 2-[[2-(1,3-benzothiazol-2-yl)pyrrolidino]methyl]furan-3-carboxylic acid methyl ester Formula: C18H18N2O3S MolecularWeight: 342.41212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O3S/c1-22-18(21)12-8-10-23-15(12)11-20-9-4-6-14(20)17-19-13-5-2-3-7-16(13)24-17/h2-3,5,7-8,10,14H,4,6,9,11H2,1H3