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

Systemtic Name: [2-(cyclohexylamino)-2-oxidanylidene-ethyl] 2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)sulfanylbenzoate Openeye Name: [2-(cyclohexylamino)-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-(cyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-2-oxoethyl] 2-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanylbenzoate Traditional Name: 2-[(2-keto-2-pyrrolidino-ethyl)thio]benzoic acid [2-(cyclohexylamino)-2-keto-ethyl] ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3

Isomeric SMILES

C1CCC(CC1)NC(=O)COC(=O)C2=CC=CC=C2SCC(=O)N3CCCC3

InChI

InChI=1S/C21H28N2O4S/c24-19(22-16-8-2-1-3-9-16)14-27-21(26)17-10-4-5-11-18(17)28-15-20(25)23-12-6-7-13-23/h4-5,10-11,16H,1-3,6-9,12-15H2,(H,22,24)