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

Systemtic Name: [(1S)-2-oxidanylidenecyclohexyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Openeye Name: [(1S)-2-oxocyclohexyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid [(1S)-2-oxocyclohexyl] ester IUPAC Name: [(1S)-2-oxocyclohexyl] 4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid [(1S)-2-ketocyclohexyl] ester Formula: C21H19NO3S2 MolecularWeight: 397.51046

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCC(=O)[C@H](C1)OC(=O)C2=CC=C(C=C2)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H19NO3S2/c23-17-6-2-3-7-18(17)25-20(24)15-11-9-14(10-12-15)13-26-21-22-16-5-1-4-8-19(16)27-21/h1,4-5,8-12,18H,2-3,6-7,13H2/t18-/m0/s1