[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate CAS Name: 2-[[2-oxo-2-(1-pyrrolidinyl)ethyl]thio]benzoic acid [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C20H28N2O4S MolecularWeight: 392.51232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)COC(=O)C1=CC=CC=C1SCC(=O)N2CCCC2

Isomeric SMILES

CC(C)CCNC(=O)COC(=O)C1=CC=CC=C1SCC(=O)N2CCCC2

InChI

InChI=1S/C20H28N2O4S/c1-15(2)9-10-21-18(23)13-26-20(25)16-7-3-4-8-17(16)27-14-19(24)22-11-5-6-12-22/h3-4,7-8,15H,5-6,9-14H2,1-2H3,(H,21,23)