methyl 3-[2-[(4-chlorophenyl)methylsulfanyl]ethylcarbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[2-[(4-chlorophenyl)methylsulfanyl]ethylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[2-[(4-chlorophenyl)methylsulfanyl]ethylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-[(4-chlorophenyl)methylthio]ethylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[2-[(4-chlorophenyl)methylsulfanyl]ethylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[2-[(4-chlorobenzyl)thio]ethylcarbamoyl]-5-nitro-benzoic acid methyl ester Formula: C18H17ClN2O5S MolecularWeight: 408.85598

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NCCSCC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCCSCC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN2O5S/c1-26-18(23)14-8-13(9-16(10-14)21(24)25)17(22)20-6-7-27-11-12-2-4-15(19)5-3-12/h2-5,8-10H,6-7,11H2,1H3,(H,20,22)