phenacyl 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: phenacyl 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: phenacyl 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid phenacyl ester IUPAC Name: phenacyl 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid phenacyl ester Formula: C17H11NO5S MolecularWeight: 341.33794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11NO5S/c19-14(11-4-2-1-3-5-11)10-23-17(20)16-9-12-8-13(18(21)22)6-7-15(12)24-16/h1-9H,10H2