ethyl 4-[2-(4-methoxycarbonyl-2-nitro-phenyl)sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(4-methoxycarbonyl-2-nitro-phenyl)sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(4-methoxycarbonyl-2-nitro-phenyl)sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(4-methoxycarbonyl-2-nitrophenyl)thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-methoxycarbonyl-2-nitrophenyl)sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(4-carbomethoxy-2-nitro-phenyl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H21N3O7S MolecularWeight: 411.42954

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O7S/c1-3-27-17(23)19-8-6-18(7-9-19)15(21)11-28-14-5-4-12(16(22)26-2)10-13(14)20(24)25/h4-5,10H,3,6-9,11H2,1-2H3