[(3S)-2-oxidanylideneoxolan-3-yl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: [(3S)-2-oxidanylideneoxolan-3-yl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Openeye Name: [(3S)-2-oxotetrahydrofuran-3-yl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid [(3S)-2-oxo-3-oxolanyl] ester IUPAC Name: [(3S)-2-oxooxolan-3-yl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid [(3S)-2-ketotetrahydrofuran-3-yl] ester Formula: C19H15NO4S2 MolecularWeight: 385.4567

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(=O)C1OC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COC(=O)[C@H]1OC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H15NO4S2/c21-17(24-15-9-10-23-18(15)22)13-7-5-12(6-8-13)11-25-19-20-14-3-1-2-4-16(14)26-19/h1-8,15H,9-11H2/t15-/m0/s1