[2-oxidanylidene-2-(phenethylamino)ethyl] 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 2-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 2-[2-(isopropylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(propan-2-ylamino)ethyl]thio]benzoic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 2-[2-oxo-2-(propan-2-ylamino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-(isopropylamino)-2-keto-ethyl]thio]benzoic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CC(C)NC(=O)CSC1=CC=CC=C1C(=O)OCC(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O4S/c1-16(2)24-21(26)15-29-19-11-7-6-10-18(19)22(27)28-14-20(25)23-13-12-17-8-4-3-5-9-17/h3-11,16H,12-15H2,1-2H3,(H,23,25)(H,24,26)