quinolin-8-ylmethyl 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: quinolin-8-ylmethyl 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: 8-quinolylmethyl 2-(4-methylsulfanyl-3-nitro-benzoyl)benzoate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]benzoic acid 8-quinolinylmethyl ester IUPAC Name: quinolin-8-ylmethyl 2-(4-methylsulfanyl-3-nitrobenzoyl)benzoate Traditional Name: 2-[4-(methylthio)-3-nitro-benzoyl]benzoic acid 8-quinolylmethyl ester Formula: C25H18N2O5S MolecularWeight: 458.48582

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H18N2O5S/c1-33-22-12-11-17(14-21(22)27(30)31)24(28)19-9-2-3-10-20(19)25(29)32-15-18-7-4-6-16-8-5-13-26-23(16)18/h2-14H,15H2,1H3