methyl 4-[[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]carbonylamino]butanoate

Systemtic Name: methyl 4-[[2-(4-chlorophenyl)sulfanyl-5-nitro-phenyl]carbonylamino]butanoate Openeye Name: methyl 4-[[2-(4-chlorophenyl)sulfanyl-5-nitro-benzoyl]amino]butanoate CAS Name: 4-[[[2-[(4-chlorophenyl)thio]-5-nitrophenyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-chlorophenyl)sulfanyl-5-nitrobenzoyl]amino]butanoate Traditional Name: 4-[[2-[(4-chlorophenyl)thio]-5-nitro-benzoyl]amino]butyric acid methyl ester Formula: C18H17ClN2O5S MolecularWeight: 408.85598

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=CC=C(C=C2)Cl

Isomeric SMILES

COC(=O)CCCNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H17ClN2O5S/c1-26-17(22)3-2-10-20-18(23)15-11-13(21(24)25)6-9-16(15)27-14-7-4-12(19)5-8-14/h4-9,11H,2-3,10H2,1H3,(H,20,23)