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

Systemtic Name: methyl 3-[2-(4-chlorophenyl)sulfanylethylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[2-(4-chlorophenyl)sulfanylethylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[2-[(4-chlorophenyl)thio]ethylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[2-(4-chlorophenyl)sulfanylethylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[2-[(4-chlorophenyl)thio]ethylcarbamoyl]-5-nitro-benzoic acid methyl ester Formula: C17H15ClN2O5S MolecularWeight: 394.8294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN2O5S/c1-25-17(22)12-8-11(9-14(10-12)20(23)24)16(21)19-6-7-26-15-4-2-13(18)3-5-15/h2-5,8-10H,6-7H2,1H3,(H,19,21)