(4-aminocarbonyl-2-nitro-phenyl)methyl 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate CAS Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]benzoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 2-(1,3-benzoxazol-2-ylsulfanylmethyl)benzoate Traditional Name: 2-[(1,3-benzoxazol-2-ylthio)methyl]benzoic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C23H17N3O6S MolecularWeight: 463.46258

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3O2)C(=O)OCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)CSC2=NC3=CC=CC=C3O2)C(=O)OCC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C23H17N3O6S/c24-21(27)14-9-10-15(19(11-14)26(29)30)12-31-22(28)17-6-2-1-5-16(17)13-33-23-25-18-7-3-4-8-20(18)32-23/h1-11H,12-13H2,(H2,24,27)