[2-oxidanylidene-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 2-(2-nitrophenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 2-(2-nitrophenyl)sulfanylethanoate Openeye Name: [2-[2-(4-isopropylphenyl)ethylamino]-2-oxo-ethyl] 2-(2-nitrophenyl)sulfanylacetate CAS Name: 2-[(2-nitrophenyl)thio]acetic acid [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(4-propan-2-ylphenyl)ethylamino]ethyl] 2-(2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(2-nitrophenyl)thio]acetic acid [2-keto-2-(2-p-cumenylethylamino)ethyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CCNC(=O)COC(=O)CSC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CCNC(=O)COC(=O)CSC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O5S/c1-15(2)17-9-7-16(8-10-17)11-12-22-20(24)13-28-21(25)14-29-19-6-4-3-5-18(19)23(26)27/h3-10,15H,11-14H2,1-2H3,(H,22,24)