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

Systemtic Name: ethyl 2-[(3-nitro-1-benzothiophen-2-yl)-propyl-amino]ethanoate Openeye Name: ethyl 2-[(3-nitrobenzothiophen-2-yl)-propyl-amino]acetate CAS Name: 2-[(3-nitro-1-benzothiophen-2-yl)-propylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[(3-nitro-1-benzothiophen-2-yl)-propylamino]acetate Traditional Name: 2-[(3-nitrobenzothiophen-2-yl)-propyl-amino]acetic acid ethyl ester Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)OCC)C1=C(C2=CC=CC=C2S1)[N+](=O)[O-]

Isomeric SMILES

CCCN(CC(=O)OCC)C1=C(C2=CC=CC=C2S1)[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O4S/c1-3-9-16(10-13(18)21-4-2)15-14(17(19)20)11-7-5-6-8-12(11)22-15/h5-8H,3-4,9-10H2,1-2H3