ethyl 3-[2-chloranyl-4-(diethylcarbamothioylsulfanyl)-5-nitro-phenyl]-3-oxidanylidene-propanoate

Systemtic Name: ethyl 3-[2-chloranyl-4-(diethylcarbamothioylsulfanyl)-5-nitro-phenyl]-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[2-chloro-4-(diethylcarbamothioylsulfanyl)-5-nitro-phenyl]-3-oxo-propanoate CAS Name: 3-[2-chloro-4-[[diethylamino(sulfanylidene)methyl]thio]-5-nitrophenyl]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[2-chloro-4-(diethylcarbamothioylsulfanyl)-5-nitrophenyl]-3-oxopropanoate Traditional Name: 3-[2-chloro-4-(diethylthiocarbamoylthio)-5-nitro-phenyl]-3-keto-propionic acid ethyl ester Formula: C16H19ClN2O5S2 MolecularWeight: 418.91546

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SC1=C(C=C(C(=C1)Cl)C(=O)CC(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C(=S)SC1=C(C=C(C(=C1)Cl)C(=O)CC(=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C16H19ClN2O5S2/c1-4-18(5-2)16(25)26-14-8-11(17)10(7-12(14)19(22)23)13(20)9-15(21)24-6-3/h7-8H,4-6,9H2,1-3H3