1,3-benzothiazol-2-ylmethyl 4-tert-butylcyclohexane-1-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-tert-butylcyclohexane-1-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-tert-butylcyclohexanecarboxylate CAS Name: 4-tert-butyl-1-cyclohexanecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-tert-butylcyclohexane-1-carboxylate Traditional Name: 4-tert-butylcyclohexanecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C19H25NO2S MolecularWeight: 331.4723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)C(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)C1CCC(CC1)C(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H25NO2S/c1-19(2,3)14-10-8-13(9-11-14)18(21)22-12-17-20-15-6-4-5-7-16(15)23-17/h4-7,13-14H,8-12H2,1-3H3