(2S,3R,6R)-2,6-dimethyl-4-methylidene-1,7-dimorpholin-4-yl-3-phenylsulfanyl-heptane-1,7-dione

Systemtic Name: (2S,3R,6R)-2,6-dimethyl-4-methylidene-1,7-dimorpholin-4-yl-3-phenylsulfanyl-heptane-1,7-dione Openeye Name: (2S,3R,6R)-2,6-dimethyl-4-methylene-1,7-dimorpholino-3-phenylsulfanyl-heptane-1,7-dione CAS Name: (2S,3R,6R)-2,6-dimethyl-4-methylene-1,7-bis(4-morpholinyl)-3-(phenylthio)heptane-1,7-dione IUPAC Name: (2S,3R,6R)-2,6-dimethyl-4-methylidene-1,7-dimorpholin-4-yl-3-phenylsulfanylheptane-1,7-dione Traditional Name: (2S,3R,6R)-2,6-dimethyl-4-methylene-1,7-dimorpholino-3-(phenylthio)heptane-1,7-dione Formula: C24H34N2O4S MolecularWeight: 446.60276

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=C)C(C(C)C(=O)N1CCOCC1)SC2=CC=CC=C2)C(=O)N3CCOCC3

Isomeric SMILES

C[C@H](CC(=C)[C@@H]([C@@H](C)C(=O)N1CCOCC1)SC2=CC=CC=C2)C(=O)N3CCOCC3

InChI

InChI=1S/C24H34N2O4S/c1-18(17-19(2)23(27)25-9-13-29-14-10-25)22(31-21-7-5-4-6-8-21)20(3)24(28)26-11-15-30-16-12-26/h4-8,19-20,22H,1,9-17H2,2-3H3/t19-,20-,22+/m1/s1