[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-[2-[(4-chlorophenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-[2-[(4-chlorophenyl)thio]ethylamino]-2-keto-ethyl] ester Formula: C15H13ClN2O5S2 MolecularWeight: 400.85712

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCNC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=CC=C1SCCNC(=O)COC(=O)C2=CC=C(S2)[N+](=O)[O-])Cl

InChI

InChI=1S/C15H13ClN2O5S2/c16-10-1-3-11(4-2-10)24-8-7-17-13(19)9-23-15(20)12-5-6-14(25-12)18(21)22/h1-6H,7-9H2,(H,17,19)