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

Systemtic Name: [2-oxidanylidene-2-(phenethylamino)ethyl] 2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanylbenzoate Openeye Name: [2-oxo-2-(phenethylamino)ethyl] 2-[2-oxo-2-(phenethylamino)ethyl]sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(phenethylamino)ethyl]thio]benzoic acid [2-oxo-2-(phenethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(phenethylamino)ethyl] 2-[2-oxo-2-(phenethylamino)ethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(phenethylamino)ethyl]thio]benzoic acid [2-keto-2-(phenethylamino)ethyl] ester Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)COC(=O)C2=CC=CC=C2SCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)COC(=O)C2=CC=CC=C2SCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C27H28N2O4S/c30-25(28-17-15-21-9-3-1-4-10-21)19-33-27(32)23-13-7-8-14-24(23)34-20-26(31)29-18-16-22-11-5-2-6-12-22/h1-14H,15-20H2,(H,28,30)(H,29,31)