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

Systemtic Name: [(1S)-2-oxidanylidenecyclopentyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Openeye Name: [(1S)-2-oxocyclopentyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid [(1S)-2-oxocyclopentyl] ester IUPAC Name: [(1S)-2-oxocyclopentyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid [(1S)-2-ketocyclopentyl] ester Formula: C20H17NO3S2 MolecularWeight: 383.48388

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)C1)OC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](C(=O)C1)OC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H17NO3S2/c22-16-5-3-6-17(16)24-19(23)14-10-8-13(9-11-14)12-25-20-21-15-4-1-2-7-18(15)26-20/h1-2,4,7-11,17H,3,5-6,12H2/t17-/m0/s1