(3aS,4S,5R,7aS)-4-methoxy-6-methyl-2-phenyl-5-phenylsulfanyl-3a,4,5,7a-tetrahydroisoindole-1,3-dione

Systemtic Name: (3aS,4S,5R,7aS)-4-methoxy-6-methyl-2-phenyl-5-phenylsulfanyl-3a,4,5,7a-tetrahydroisoindole-1,3-dione Openeye Name: (3aS,4S,5R,7aS)-4-methoxy-6-methyl-2-phenyl-5-phenylsulfanyl-3a,4,5,7a-tetrahydroisoindole-1,3-dione CAS Name: (3aS,4S,5R,7aS)-4-methoxy-6-methyl-2-phenyl-5-(phenylthio)-3a,4,5,7a-tetrahydroisoindole-1,3-dione IUPAC Name: (3aS,4S,5R,7aS)-4-methoxy-6-methyl-2-phenyl-5-phenylsulfanyl-3a,4,5,7a-tetrahydroisoindole-1,3-dione Traditional Name: (3aS,4S,5R,7aS)-4-methoxy-6-methyl-2-phenyl-5-(phenylthio)-3a,4,5,7a-tetrahydroisoindole-1,3-quinone Formula: C22H21NO3S MolecularWeight: 379.47204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2C(C(C1SC3=CC=CC=C3)OC)C(=O)N(C2=O)C4=CC=CC=C4

Isomeric SMILES

CC1=C[C@H]2[C@@H]([C@@H]([C@@H]1SC3=CC=CC=C3)OC)C(=O)N(C2=O)C4=CC=CC=C4

InChI

InChI=1S/C22H21NO3S/c1-14-13-17-18(19(26-2)20(14)27-16-11-7-4-8-12-16)22(25)23(21(17)24)15-9-5-3-6-10-15/h3-13,17-20H,1-2H3/t17-,18-,19-,20+/m0/s1