[4-[(5-azanylidene-7-oxidanylidene-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-2-ethoxy-phenyl] 3-nitrobenzoate

Systemtic Name: [4-[(5-azanylidene-7-oxidanylidene-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-6-ylidene)methyl]-2-ethoxy-phenyl] 3-nitrobenzoate Openeye Name: [2-ethoxy-4-[(5-imino-7-oxo-3-phenyl-thiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-ethoxy-4-[(5-imino-7-oxo-3-phenyl-6-thiazolo[3,2-a]pyrimidinylidene)methyl]phenyl] ester IUPAC Name: [2-ethoxy-4-[(5-imino-7-oxo-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-ethoxy-4-[(5-imino-7-keto-3-phenyl-thiazolo[3,2-a]pyrimidin-6-ylidene)methyl]phenyl] ester Formula: C28H20N4O6S MolecularWeight: 540.5466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C(=N)N3C(=CSC3=NC2=O)C4=CC=CC=C4)OC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C2C(=N)N3C(=CSC3=NC2=O)C4=CC=CC=C4)OC(=O)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H20N4O6S/c1-2-37-24-14-17(11-12-23(24)38-27(34)19-9-6-10-20(15-19)32(35)36)13-21-25(29)31-22(18-7-4-3-5-8-18)16-39-28(31)30-26(21)33/h3-16,29H,2H2,1H3