[2-(dimethylamino)-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)sulfanyl-5-nitro-benzoate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)sulfanyl-5-nitro-benzoate Openeye Name: [2-(dimethylamino)-2-oxo-ethyl] 2-(4-chlorophenyl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(4-chlorophenyl)thio]-5-nitrobenzoic acid [2-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanyl-5-nitrobenzoate Traditional Name: 2-[(4-chlorophenyl)thio]-5-nitro-benzoic acid [2-(dimethylamino)-2-keto-ethyl] ester Formula: C17H15ClN2O5S MolecularWeight: 394.8294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN2O5S/c1-19(2)16(21)10-25-17(22)14-9-12(20(23)24)5-8-15(14)26-13-6-3-11(18)4-7-13/h3-9H,10H2,1-2H3