ethyl 4-[2-(2-nitrothiophen-3-yl)sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(2-nitrothiophen-3-yl)sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(2-nitro-3-thienyl)sulfanyl]acetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(2-nitro-3-thiophenyl)thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(2-nitrothiophen-3-yl)sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(2-nitro-3-thienyl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C13H17N3O5S2 MolecularWeight: 359.42118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=C(SC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=C(SC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O5S2/c1-2-21-13(18)15-6-4-14(5-7-15)11(17)9-23-10-3-8-22-12(10)16(19)20/h3,8H,2,4-7,9H2,1H3