(2E)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-6-methyl-9-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-5,10,11-tris(oxidanyl)-4,4a,5,5a,6,12a-hexahydrotetracene-1,3,12-trione

Systemtic Name: (2E)-2-[azanyl(oxidanyl)methylidene]-4-(dimethylamino)-6-methyl-9-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-5,10,11-tris(oxidanyl)-4,4a,5,5a,6,12a-hexahydrotetracene-1,3,12-trione Openeye Name: (2E)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-5,10,11-trihydroxy-6-methyl-9-[[4-(3-nitrophenyl)thiazol-2-yl]amino]-4,4a,5,5a,6,12a-hexahydrotetracene-1,3,12-trione CAS Name: (2E)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11-trihydroxy-6-methyl-9-[[4-(3-nitrophenyl)-2-thiazolyl]amino]-4,4a,5,5a,6,12a-hexahydrotetracene-1,3,12-trione IUPAC Name: (2E)-2-[amino(hydroxy)methylidene]-4-(dimethylamino)-5,10,11-trihydroxy-6-methyl-9-[[4-(3-nitrophenyl)-1,3-thiazol-2-yl]amino]-4,4a,5,5a,6,12a-hexahydrotetracene-1,3,12-trione Traditional Name: (2E)-2-[amino(hydroxy)methylene]-4-(dimethylamino)-5,10,11-trihydroxy-6-methyl-9-[[4-(3-nitrophenyl)thiazol-2-yl]amino]-4,4a,5,5a,6,12a-hexahydrotetracene-1,3,12-trione Formula: C31H29N5O9S MolecularWeight: 647.65506

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2C(C3C(C(=O)C2=C(C4=C1C=CC(=C4O)NC5=NC(=CS5)C6=CC(=CC=C6)[N+](=O)[O-])O)C(=O)C(=C(N)O)C(=O)C3N(C)C)O

Isomeric SMILES

CC1C2C(C3C(C(=O)C2=C(C4=C1C=CC(=C4O)NC5=NC(=CS5)C6=CC(=CC=C6)[N+](=O)[O-])O)C(=O)/C(=C(/N)\O)/C(=O)C3N(C)C)O

InChI

InChI=1S/C31H29N5O9S/c1-11-14-7-8-15(33-31-34-16(10-46-31)12-5-4-6-13(9-12)36(44)45)24(37)18(14)26(39)20-17(11)25(38)19-21(27(20)40)28(41)22(30(32)43)29(42)23(19)35(2)3/h4-11,17,19,21,23,25,37-39,43H,32H2,1-3H3,(H,33,34)/b30-22+