ethyl 3-[2-(4-chlorophenyl)sulfanylethylcarbamoyl]-5-nitro-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCSC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NCCSC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClN2O5S/c1-2-26-18(23)13-9-12(10-15(11-13)21(24)25)17(22)20-7-8-27-16-5-3-14(19)4-6-16/h3-6,9-11H,2,7-8H2,1H3,(H,20,22)