methyl 3-[2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-[4-(4-chloro-2-nitro-phenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-[4-(4-chloro-2-nitro-phenyl)piperazino]-2-keto-ethyl]thio]propionic acid methyl ester Formula: C16H20ClN3O5S MolecularWeight: 401.8651

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCSCC(=O)N1CCN(CC1)C2=C(C=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H20ClN3O5S/c1-25-16(22)4-9-26-11-15(21)19-7-5-18(6-8-19)13-3-2-12(17)10-14(13)20(23)24/h2-3,10H,4-9,11H2,1H3