[(1S)-2-oxidanylidenecyclohexyl] 2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [(1S)-2-oxocyclohexyl] 2-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]benzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(2-furfurylamino)-2-keto-ethyl]thio]benzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C20H21NO5S MolecularWeight: 387.44944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2=CC=CC=C2SCC(=O)NCC3=CC=CO3

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)C2=CC=CC=C2SCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C20H21NO5S/c22-16-8-2-3-9-17(16)26-20(24)15-7-1-4-10-18(15)27-13-19(23)21-12-14-6-5-11-25-14/h1,4-7,10-11,17H,2-3,8-9,12-13H2,(H,21,23)/t17-/m0/s1