S-(5-phenyl-1,3,4-oxadiazol-2-yl) (2S)-2-[(3aS,7aS)-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-3-phenyl-propanethioate

Systemtic Name: S-(5-phenyl-1,3,4-oxadiazol-2-yl) (2S)-2-[(3aS,7aS)-1,3-bis(oxidanylidene)-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-3-phenyl-propanethioate Openeye Name: S-(5-phenyl-1,3,4-oxadiazol-2-yl) (2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-3-phenyl-propanethioate CAS Name: (2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-3-phenylpropanethioic acid S-(5-phenyl-1,3,4-oxadiazol-2-yl) ester IUPAC Name: S-(5-phenyl-1,3,4-oxadiazol-2-yl) (2S)-2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-3-phenylpropanethioate Traditional Name: (2S)-2-[(3aS,7aS)-1,3-diketo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-3-phenyl-propanethioic acid S-(5-phenyl-1,3,4-oxadiazol-2-yl) ester Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2C(C1)C(=O)N(C2=O)C(CC3=CC=CC=C3)C(=O)SC4=NN=C(O4)C5=CC=CC=C5

Isomeric SMILES

C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)[C@@H](CC3=CC=CC=C3)C(=O)SC4=NN=C(O4)C5=CC=CC=C5

InChI

InChI=1S/C25H23N3O4S/c29-22-18-13-7-8-14-19(18)23(30)28(22)20(15-16-9-3-1-4-10-16)24(31)33-25-27-26-21(32-25)17-11-5-2-6-12-17/h1-6,9-12,18-20H,7-8,13-15H2/t18-,19-,20-/m0/s1