[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 2-[2-(isopropylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzoic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]benzoic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)NC(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)NC(C)C

InChI

InChI=1S/C22H25NO4S/c1-4-16-9-11-17(12-10-16)19(24)13-27-22(26)18-7-5-6-8-20(18)28-14-21(25)23-15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,23,25)