[2-oxidanylidene-2-(pentylamino)ethyl] 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate

Systemtic Name: [2-oxidanylidene-2-(pentylamino)ethyl] 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate Openeye Name: [2-oxo-2-(pentylamino)ethyl] 2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzoic acid [2-oxo-2-(pentylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentylamino)ethyl] 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoic acid [2-(amylamino)-2-keto-ethyl] ester Formula: C20H28N2O4S MolecularWeight: 392.51232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)COC(=O)C1=CC=CC=C1SCC(=O)N2CCCC2

Isomeric SMILES

CCCCCNC(=O)COC(=O)C1=CC=CC=C1SCC(=O)N2CCCC2

InChI

InChI=1S/C20H28N2O4S/c1-2-3-6-11-21-18(23)14-26-20(25)16-9-4-5-10-17(16)27-15-19(24)22-12-7-8-13-22/h4-5,9-10H,2-3,6-8,11-15H2,1H3,(H,21,23)