[2-(cyclohexylamino)-2-oxidanylidene-ethyl] 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate

Systemtic Name: [2-(cyclohexylamino)-2-oxidanylidene-ethyl] 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate Openeye Name: [2-(cyclohexylamino)-2-oxo-ethyl] 2-[[(2R)-tetrahydrofuran-2-yl]methylsulfanyl]benzoate CAS Name: 2-[[(2R)-2-oxolanyl]methylthio]benzoic acid [2-(cyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-2-oxoethyl] 2-[[(2R)-oxolan-2-yl]methylsulfanyl]benzoate Traditional Name: 2-[[(2R)-tetrahydrofuran-2-yl]methylthio]benzoic acid [2-(cyclohexylamino)-2-keto-ethyl] ester Formula: C20H27NO4S MolecularWeight: 377.49768

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)COC(=O)C2=CC=CC=C2SCC3CCCO3

Isomeric SMILES

C1CCC(CC1)NC(=O)COC(=O)C2=CC=CC=C2SC[C@H]3CCCO3

InChI

InChI=1S/C20H27NO4S/c22-19(21-15-7-2-1-3-8-15)13-25-20(23)17-10-4-5-11-18(17)26-14-16-9-6-12-24-16/h4-5,10-11,15-16H,1-3,6-9,12-14H2,(H,21,22)/t16-/m1/s1