2-(2-oxidanylidene-1,3-benzoxazol-3-yl)ethyl 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: 2-(2-oxidanylidene-1,3-benzoxazol-3-yl)ethyl 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: 2-(2-oxo-1,3-benzoxazol-3-yl)ethyl 2-(4-methylsulfanyl-3-nitro-benzoyl)benzoate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]benzoic acid 2-(2-oxo-1,3-benzoxazol-3-yl)ethyl ester IUPAC Name: 2-(2-oxo-1,3-benzoxazol-3-yl)ethyl 2-(4-methylsulfanyl-3-nitrobenzoyl)benzoate Traditional Name: 2-[4-(methylthio)-3-nitro-benzoyl]benzoic acid 2-(2-keto-1,3-benzoxazol-3-yl)ethyl ester Formula: C24H18N2O7S MolecularWeight: 478.47392

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCCN3C4=CC=CC=C4OC3=O)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCCN3C4=CC=CC=C4OC3=O)[N+](=O)[O-]

InChI

InChI=1S/C24H18N2O7S/c1-34-21-11-10-15(14-19(21)26(30)31)22(27)16-6-2-3-7-17(16)23(28)32-13-12-25-18-8-4-5-9-20(18)33-24(25)29/h2-11,14H,12-13H2,1H3