2-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-methoxy-4-nitro-phenyl)ethanamide

Systemtic Name: 2-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-methoxy-4-nitro-phenyl)ethanamide Openeye Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-methoxy-4-nitro-phenyl)acetamide CAS Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)thio]-N-(2-methoxy-4-nitrophenyl)acetamide IUPAC Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]-N-(2-methoxy-4-nitrophenyl)acetamide Traditional Name: 2-[(5-chloro-1,3-benzoxazol-2-yl)thio]-N-(2-methoxy-4-nitro-phenyl)acetamide Formula: C16H12ClN3O5S MolecularWeight: 393.80158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NC3=C(O2)C=CC(=C3)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CSC2=NC3=C(O2)C=CC(=C3)Cl

InChI

InChI=1S/C16H12ClN3O5S/c1-24-14-7-10(20(22)23)3-4-11(14)18-15(21)8-26-16-19-12-6-9(17)2-5-13(12)25-16/h2-7H,8H2,1H3,(H,18,21)