methyl (3aR,6R)-3a-methyl-6-(methylsulfanylmethyl)-2-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b][1,2]oxazole-3-carboxylate

Systemtic Name: methyl (3aR,6R)-3a-methyl-6-(methylsulfanylmethyl)-2-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b][1,2]oxazole-3-carboxylate Openeye Name: methyl (3aR,6R)-3a-methyl-6-(methylsulfanylmethyl)-2-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]isoxazole-3-carboxylate CAS Name: (3aR,6R)-3a-methyl-6-[(methylthio)methyl]-2-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b]isoxazole-3-carboxylic acid methyl ester IUPAC Name: methyl (3aR,6R)-3a-methyl-6-(methylsulfanylmethyl)-2-phenyl-5,6-dihydro-4H-pyrrolo[1,2-b][1,2]oxazole-3-carboxylate Traditional Name: (3aR,6R)-3a-methyl-6-[(methylthio)methyl]-2-phenyl-5,6-dihydro-4H-pyrrol[1,2-b]isoxazole-3-carboxylic acid methyl ester Formula: C17H21NO3S MolecularWeight: 319.41854

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(N1OC(=C2C(=O)OC)C3=CC=CC=C3)CSC

Isomeric SMILES

C[C@]12CC[C@@H](N1OC(=C2C(=O)OC)C3=CC=CC=C3)CSC

InChI

InChI=1S/C17H21NO3S/c1-17-10-9-13(11-22-3)18(17)21-15(14(17)16(19)20-2)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3/t13-,17-/m1/s1