(4-aminocarbonyl-2-nitro-phenyl)methyl 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 2-(1,3-benzoxazol-2-ylsulfanyl)ethanoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 2-(1,3-benzoxazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzoxazol-2-ylthio)acetic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C17H13N3O6S MolecularWeight: 387.36662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)SCC(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)SCC(=O)OCC3=C(C=C(C=C3)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O6S/c18-16(22)10-5-6-11(13(7-10)20(23)24)8-25-15(21)9-27-17-19-12-3-1-2-4-14(12)26-17/h1-7H,8-9H2,(H2,18,22)