ethyl 2-[(2,6-dinitro-4-phenothiazin-10-ylcarbonyl-phenyl)amino]-4-(4-nitrophenyl)-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[(2,6-dinitro-4-phenothiazin-10-ylcarbonyl-phenyl)amino]-4-(4-nitrophenyl)-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[2,6-dinitro-4-(phenothiazine-10-carbonyl)anilino]-4-(4-nitrophenyl)thiazole-5-carboxylate CAS Name: 2-[2,6-dinitro-4-[oxo(10-phenothiazinyl)methyl]anilino]-4-(4-nitrophenyl)-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2,6-dinitro-4-(phenothiazine-10-carbonyl)anilino]-4-(4-nitrophenyl)-1,3-thiazole-5-carboxylate Traditional Name: 2-[2,6-dinitro-4-(phenothiazine-10-carbonyl)anilino]-4-(4-nitrophenyl)thiazole-5-carboxylic acid ethyl ester Formula: C31H20N6O9S2 MolecularWeight: 684.6553

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)[N+](=O)[O-])C6=CC=C(C=C6)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC2=C(C=C(C=C2[N+](=O)[O-])C(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)[N+](=O)[O-])C6=CC=C(C=C6)[N+](=O)[O-]

InChI

InChI=1S/C31H20N6O9S2/c1-2-46-30(39)28-26(17-11-13-19(14-12-17)35(40)41)32-31(48-28)33-27-22(36(42)43)15-18(16-23(27)37(44)45)29(38)34-20-7-3-5-9-24(20)47-25-10-6-4-8-21(25)34/h3-16H,2H2,1H3,(H,32,33)