ethyl 2-[(2-nitro-1-benzothiophen-3-yl)-pentyl-amino]-2-oxidanylidene-ethanoate

Systemtic Name: ethyl 2-[(2-nitro-1-benzothiophen-3-yl)-pentyl-amino]-2-oxidanylidene-ethanoate Openeye Name: ethyl 2-[(2-nitrobenzothiophen-3-yl)-pentyl-amino]-2-oxo-acetate CAS Name: 2-[(2-nitro-1-benzothiophen-3-yl)-pentylamino]-2-oxoacetic acid ethyl ester IUPAC Name: ethyl 2-[(2-nitro-1-benzothiophen-3-yl)-pentylamino]-2-oxoacetate Traditional Name: 2-[amyl-(2-nitrobenzothiophen-3-yl)amino]-2-keto-acetic acid ethyl ester Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=C(SC2=CC=CC=C21)[N+](=O)[O-])C(=O)C(=O)OCC

Isomeric SMILES

CCCCCN(C1=C(SC2=CC=CC=C21)[N+](=O)[O-])C(=O)C(=O)OCC

InChI

InChI=1S/C17H20N2O5S/c1-3-5-8-11-18(15(20)17(21)24-4-2)14-12-9-6-7-10-13(12)25-16(14)19(22)23/h6-7,9-10H,3-5,8,11H2,1-2H3