tert-butyl (3S,7aR)-7a-methyl-5-oxidanylidene-3-phenyl-2,3-dihydropyrrolo[2,1-b][1,3]oxazole-6-carboxylate

Systemtic Name: tert-butyl (3S,7aR)-7a-methyl-5-oxidanylidene-3-phenyl-2,3-dihydropyrrolo[2,1-b][1,3]oxazole-6-carboxylate Openeye Name: tert-butyl (3S,7aR)-7a-methyl-5-oxo-3-phenyl-2,3-dihydropyrrolo[2,1-b]oxazole-6-carboxylate CAS Name: (3S,7aR)-7a-methyl-5-oxo-3-phenyl-2,3-dihydropyrrolo[2,1-b]oxazole-6-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S,7aR)-7a-methyl-5-oxo-3-phenyl-2,3-dihydropyrrolo[2,1-b][1,3]oxazole-6-carboxylate Traditional Name: (3S,7aR)-5-keto-7a-methyl-3-phenyl-2,3-dihydropyrrolo[2,1-b]oxazole-6-carboxylic acid tert-butyl ester Formula: C18H21NO4 MolecularWeight: 315.36364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12C=C(C(=O)N1C(CO2)C3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

C[C@@]12C=C(C(=O)N1[C@H](CO2)C3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H21NO4/c1-17(2,3)23-16(21)13-10-18(4)19(15(13)20)14(11-22-18)12-8-6-5-7-9-12/h5-10,14H,11H2,1-4H3/t14-,18-/m1/s1