[(3S)-2-oxidanylideneoxolan-3-yl] 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [(3S)-2-oxidanylideneoxolan-3-yl] 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [(3S)-2-oxotetrahydrofuran-3-yl] 2-[2-(3-cyanoanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(3-cyanoanilino)-2-oxoethyl]thio]benzoic acid [(3S)-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S)-2-oxooxolan-3-yl] 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(3-cyanoanilino)-2-keto-ethyl]thio]benzoic acid [(3S)-2-ketotetrahydrofuran-3-yl] ester Formula: C20H16N2O5S MolecularWeight: 396.41644

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1OC(=O)C2=CC=CC=C2SCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

C1COC(=O)[C@H]1OC(=O)C2=CC=CC=C2SCC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H16N2O5S/c21-11-13-4-3-5-14(10-13)22-18(23)12-28-17-7-2-1-6-15(17)19(24)27-16-8-9-26-20(16)25/h1-7,10,16H,8-9,12H2,(H,22,23)/t16-/m0/s1