2-[2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: 2-[2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 2-[2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidinyl]-2-oxoethyl]thio]benzoate IUPAC Name: 2-[2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidino]-2-keto-ethyl]thio]benzoate Formula: C21H20NO5S- MolecularWeight: 398.4522

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSC2=CC=CC=C2C(=O)[O-])C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CSC2=CC=CC=C2C(=O)[O-])C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H21NO5S/c23-20(13-28-19-6-2-1-4-15(19)21(24)25)22-9-3-5-16(22)14-7-8-17-18(12-14)27-11-10-26-17/h1-2,4,6-8,12,16H,3,5,9-11,13H2,(H,24,25)/p-1/t16-/m0/s1