(2-methoxy-2-oxidanylidene-1-phenyl-ethyl) 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: (2-methoxy-2-oxidanylidene-1-phenyl-ethyl) 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: (2-methoxy-2-oxo-1-phenyl-ethyl) 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid (2-methoxy-2-oxo-1-phenylethyl) ester IUPAC Name: (2-methoxy-2-oxo-1-phenylethyl) 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid (2-keto-2-methoxy-1-phenyl-ethyl) ester Formula: C18H13NO6S MolecularWeight: 371.36392

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)OC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1)OC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H13NO6S/c1-24-18(21)16(11-5-3-2-4-6-11)25-17(20)15-10-12-9-13(19(22)23)7-8-14(12)26-15/h2-10,16H,1H3