[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: [(3S)-1,1-bis(oxidanylidene)thiolan-3-yl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [(3S)-1,1-dioxothiolan-3-yl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [(3S)-1,1-dioxo-3-thiolanyl] ester IUPAC Name: [(3S)-1,1-dioxothiolan-3-yl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [(3S)-1,1-diketothiolan-3-yl] ester Formula: C13H13NO4S3 MolecularWeight: 343.44162

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1OC(=O)CSC2=NC3=CC=CC=C3S2

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1OC(=O)CSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C13H13NO4S3/c15-12(18-9-5-6-21(16,17)8-9)7-19-13-14-10-3-1-2-4-11(10)20-13/h1-4,9H,5-8H2/t9-/m0/s1