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

Systemtic Name: naphthalen-1-ylmethyl (1S,2S)-2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate Openeye Name: 1-naphthylmethyl (1S,2S)-2-(1,3-benzothiazol-2-yl)cyclohexanecarboxylate CAS Name: (1S,2S)-2-(1,3-benzothiazol-2-yl)-1-cyclohexanecarboxylic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl (1S,2S)-2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate Traditional Name: (1S,2S)-2-(1,3-benzothiazol-2-yl)cyclohexanecarboxylic acid 1-naphthylmethyl ester Formula: C25H23NO2S MolecularWeight: 401.52062

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C2=NC3=CC=CC=C3S2)C(=O)OCC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CC[C@@H]([C@H](C1)C2=NC3=CC=CC=C3S2)C(=O)OCC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H23NO2S/c27-25(28-16-18-10-7-9-17-8-1-2-11-19(17)18)21-13-4-3-12-20(21)24-26-22-14-5-6-15-23(22)29-24/h1-2,5-11,14-15,20-21H,3-4,12-13,16H2/t20-,21-/m0/s1