ethyl 3-(1-benzothiophen-2-yl)-4-nitro-butanoate

Systemtic Name: ethyl 3-(1-benzothiophen-2-yl)-4-nitro-butanoate Openeye Name: ethyl 3-(benzothiophen-2-yl)-4-nitro-butanoate CAS Name: 3-(1-benzothiophen-2-yl)-4-nitrobutanoic acid ethyl ester IUPAC Name: ethyl 3-(1-benzothiophen-2-yl)-4-nitrobutanoate Traditional Name: 3-(benzothiophen-2-yl)-4-nitro-butyric acid ethyl ester Formula: C14H15NO4S MolecularWeight: 293.3382

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C[N+](=O)[O-])C1=CC2=CC=CC=C2S1

Isomeric SMILES

CCOC(=O)CC(C[N+](=O)[O-])C1=CC2=CC=CC=C2S1

InChI

InChI=1S/C14H15NO4S/c1-2-19-14(16)8-11(9-15(17)18)13-7-10-5-3-4-6-12(10)20-13/h3-7,11H,2,8-9H2,1H3