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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-chlorophenyl)sulfanyl-5-nitro-benzoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 2-(4-chlorophenyl)sulfanyl-5-nitro-benzoate CAS Name: 2-[(4-chlorophenyl)thio]-5-nitrobenzoic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(4-chlorophenyl)sulfanyl-5-nitrobenzoate Traditional Name: 2-[(4-chlorophenyl)thio]-5-nitro-benzoic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C19H18ClN3O6S MolecularWeight: 451.88072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O6S/c1-11(2)21-19(26)22-17(24)10-29-18(25)15-9-13(23(27)28)5-8-16(15)30-14-6-3-12(20)4-7-14/h3-9,11H,10H2,1-2H3,(H2,21,22,24,26)