methyl (3R)-3-[[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-4-thiophen-2-yl-butanoate

Systemtic Name: methyl (3R)-3-[[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-4-thiophen-2-yl-butanoate Openeye Name: methyl (3R)-3-[[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]methyl]-4-(2-thienyl)butanoate CAS Name: (3R)-3-[[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]methyl]-4-thiophen-2-ylbutanoic acid methyl ester IUPAC Name: methyl (3R)-3-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]-4-thiophen-2-ylbutanoate Traditional Name: (3R)-3-[[4-(6-fluoroindoxazen-3-yl)piperidino]methyl]-4-(2-thienyl)butyric acid methyl ester Formula: C22H25FN2O3S MolecularWeight: 416.508903

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC1=CC=CS1)CN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F

Isomeric SMILES

COC(=O)C[C@H](CC1=CC=CS1)CN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F

InChI

InChI=1S/C22H25FN2O3S/c1-27-21(26)12-15(11-18-3-2-10-29-18)14-25-8-6-16(7-9-25)22-19-5-4-17(23)13-20(19)28-24-22/h2-5,10,13,15-16H,6-9,11-12,14H2,1H3/t15-/m0/s1