2-(2-acridin-9-yl-4-methyl-1,3-thiazol-5-yl)ethyl 4-nitrobenzoate

Systemtic Name: 2-(2-acridin-9-yl-4-methyl-1,3-thiazol-5-yl)ethyl 4-nitrobenzoate Openeye Name: 2-(2-acridin-9-yl-4-methyl-thiazol-5-yl)ethyl 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid 2-[2-(9-acridinyl)-4-methyl-5-thiazolyl]ethyl ester IUPAC Name: 2-(2-acridin-9-yl-4-methyl-1,3-thiazol-5-yl)ethyl 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid 2-(2-acridin-9-yl-4-methyl-thiazol-5-yl)ethyl ester Formula: C26H19N3O4S MolecularWeight: 469.51176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=C3C=CC=CC3=NC4=CC=CC=C42)CCOC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(SC(=N1)C2=C3C=CC=CC3=NC4=CC=CC=C42)CCOC(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C26H19N3O4S/c1-16-23(14-15-33-26(30)17-10-12-18(13-11-17)29(31)32)34-25(27-16)24-19-6-2-4-8-21(19)28-22-9-5-3-7-20(22)24/h2-13H,14-15H2,1H3