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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2-(4-chlorophenyl)sulfanyl-5-nitro-benzoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 2-(4-chlorophenyl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(4-chlorophenyl)thio]-5-nitrobenzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 2-(4-chlorophenyl)sulfanyl-5-nitrobenzoate Traditional Name: 2-[(4-chlorophenyl)thio]-5-nitro-benzoic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C18H17ClN2O5S MolecularWeight: 408.85598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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