tert-butyl (3aS,6aR)-2-oxidanylidene-3-(2-phenylsulfanylethyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate

Systemtic Name: tert-butyl (3aS,6aR)-2-oxidanylidene-3-(2-phenylsulfanylethyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate Openeye Name: tert-butyl (3aS,6aR)-2-oxo-3-(2-phenylsulfanylethyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d]oxazole-5-carboxylate CAS Name: (3aS,6aR)-2-oxo-3-[2-(phenylthio)ethyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-d]oxazole-5-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3aS,6aR)-2-oxo-3-(2-phenylsulfanylethyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazole-5-carboxylate Traditional Name: (3aS,6aR)-2-keto-3-[2-(phenylthio)ethyl]-3a,4,6,6a-tetrahydropyrrolo[3,4-d]oxazole-5-carboxylic acid tert-butyl ester Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2C(C1)OC(=O)N2CCSC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)OC(=O)N2CCSC3=CC=CC=C3

InChI

InChI=1S/C18H24N2O4S/c1-18(2,3)24-16(21)19-11-14-15(12-19)23-17(22)20(14)9-10-25-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3/t14-,15+/m0/s1