phenacyl (1S,2S)-2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate

Systemtic Name: phenacyl (1S,2S)-2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate Openeye Name: phenacyl (1S,2S)-2-(1,3-benzothiazol-2-yl)cyclohexanecarboxylate CAS Name: (1S,2S)-2-(1,3-benzothiazol-2-yl)-1-cyclohexanecarboxylic acid phenacyl ester IUPAC Name: phenacyl (1S,2S)-2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-(1,3-benzothiazol-2-yl)cyclohexanecarboxylic acid phenacyl ester Formula: C22H21NO3S MolecularWeight: 379.47204

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C2=NC3=CC=CC=C3S2)C(=O)OCC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CC[C@@H]([C@H](C1)C2=NC3=CC=CC=C3S2)C(=O)OCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H21NO3S/c24-19(15-8-2-1-3-9-15)14-26-22(25)17-11-5-4-10-16(17)21-23-18-12-6-7-13-20(18)27-21/h1-3,6-9,12-13,16-17H,4-5,10-11,14H2/t16-,17-/m0/s1