ethyl 4-[(5-nitro-1-benzothiophen-2-yl)carbonyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(5-nitro-1-benzothiophen-2-yl)carbonyl]piperazine-1-carboxylate Openeye Name: ethyl 4-(5-nitrobenzothiophene-2-carbonyl)piperazine-1-carboxylate CAS Name: 4-[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(5-nitro-1-benzothiophene-2-carbonyl)piperazine-1-carboxylate Traditional Name: 4-(5-nitrobenzothiophene-2-carbonyl)piperazine-1-carboxylic acid ethyl ester Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O5S/c1-2-24-16(21)18-7-5-17(6-8-18)15(20)14-10-11-9-12(19(22)23)3-4-13(11)25-14/h3-4,9-10H,2,5-8H2,1H3