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

Systemtic Name: [2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl] 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Openeye Name: [2-(4-ethoxyphenyl)-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-ethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxyphenyl)-2-oxoethyl] 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]benzoic acid (2-keto-2-p-phenetyl-ethyl) ester Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)NC(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2SCC(=O)NC(C)C

InChI

InChI=1S/C22H25NO5S/c1-4-27-17-11-9-16(10-12-17)19(24)13-28-22(26)18-7-5-6-8-20(18)29-14-21(25)23-15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,23,25)