(2Z,4S,4aS,8aS)-2-[azanyl(oxidanyl)methylidene]-6-[(1S)-7-chloranyl-1-methyl-4-oxidanyl-3-oxidanylidene-2-benzofuran-1-yl]-4-(dimethylamino)-8a-oxidanyl-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,8-trione

Systemtic Name: (2Z,4S,4aS,8aS)-2-[azanyl(oxidanyl)methylidene]-6-[(1S)-7-chloranyl-1-methyl-4-oxidanyl-3-oxidanylidene-2-benzofuran-1-yl]-4-(dimethylamino)-8a-oxidanyl-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,8-trione Openeye Name: (2Z,4S,4aS,8aS)-2-[amino(hydroxy)methylene]-6-[(1S)-7-chloro-4-hydroxy-1-methyl-3-oxo-isobenzofuran-1-yl]-4-(dimethylamino)-8a-hydroxy-decalin-1,3,8-trione CAS Name: (2Z,4S,4aS,8aS)-2-[amino(hydroxy)methylidene]-6-[(1S)-7-chloro-4-hydroxy-1-methyl-3-oxo-1-isobenzofuranyl]-4-(dimethylamino)-8a-hydroxy-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,8-trione IUPAC Name: (2Z,4S,4aS,8aS)-2-[amino(hydroxy)methylidene]-6-[(1S)-7-chloro-4-hydroxy-1-methyl-3-oxo-2-benzofuran-1-yl]-4-(dimethylamino)-8a-hydroxy-4a,5,6,7-tetrahydro-4H-naphthalene-1,3,8-trione Traditional Name: (2Z,4S,4aS,8aS)-2-[amino(hydroxy)methylene]-6-[(1S)-7-chloro-4-hydroxy-3-keto-1-methyl-phthalan-1-yl]-4-(dimethylamino)-8a-hydroxy-decalin-1,3,8-trione Formula: C22H23ClN2O8 MolecularWeight: 478.87962

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2C(=O)O1)O)Cl)C3CC4C(C(=O)C(=C(N)O)C(=O)C4(C(=O)C3)O)N(C)C

Isomeric SMILES

C[C@@]1(C2=C(C=CC(=C2C(=O)O1)O)Cl)C3C[C@H]4[C@@H](C(=O)/C(=C(\N)/O)/C(=O)[C@]4(C(=O)C3)O)N(C)C

InChI

InChI=1S/C22H23ClN2O8/c1-21(15-10(23)4-5-11(26)13(15)20(31)33-21)8-6-9-16(25(2)3)17(28)14(19(24)30)18(29)22(9,32)12(27)7-8/h4-5,8-9,16,26,30,32H,6-7,24H2,1-3H3/b19-14-/t8?,9-,16-,21-,22-/m0/s1