tert-butyl 4-[(3R,5R)-3-(phenylmethyl)-5-thiophen-2-yl-1,2-oxazolidin-2-yl]benzoate

Systemtic Name: tert-butyl 4-[(3R,5R)-3-(phenylmethyl)-5-thiophen-2-yl-1,2-oxazolidin-2-yl]benzoate Openeye Name: tert-butyl 4-[(3R,5R)-3-benzyl-5-(2-thienyl)isoxazolidin-2-yl]benzoate CAS Name: 4-[(3R,5R)-3-(phenylmethyl)-5-thiophen-2-yl-2-isoxazolidinyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(3R,5R)-3-benzyl-5-thiophen-2-yl-1,2-oxazolidin-2-yl]benzoate Traditional Name: 4-[(3R,5R)-3-benzyl-5-(2-thienyl)isoxazolidin-2-yl]benzoic acid tert-butyl ester Formula: C25H27NO3S MolecularWeight: 421.55178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)N2C(CC(O2)C3=CC=CS3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)N2[C@@H](C[C@@H](O2)C3=CC=CS3)CC4=CC=CC=C4

InChI

InChI=1S/C25H27NO3S/c1-25(2,3)28-24(27)19-11-13-20(14-12-19)26-21(16-18-8-5-4-6-9-18)17-22(29-26)23-10-7-15-30-23/h4-15,21-22H,16-17H2,1-3H3/t21-,22-/m1/s1