(4-oxidanylidene-4-thiophen-2-yl-butyl) 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C17H13NO5S2 MolecularWeight: 375.41882

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13NO5S2/c19-13(15-4-2-8-24-15)3-1-7-23-17(20)16-10-11-9-12(18(21)22)5-6-14(11)25-16/h2,4-6,8-10H,1,3,7H2