1,3-benzothiazol-2-ylmethyl 1-[2-(tert-butylamino)-2-oxidanylidene-ethyl]cyclopentane-1-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 1-[2-(tert-butylamino)-2-oxidanylidene-ethyl]cyclopentane-1-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 1-[2-(tert-butylamino)-2-oxo-ethyl]cyclopentanecarboxylate CAS Name: 1-[2-(tert-butylamino)-2-oxoethyl]-1-cyclopentanecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 1-[2-(tert-butylamino)-2-oxoethyl]cyclopentane-1-carboxylate Traditional Name: 1-[2-(tert-butylamino)-2-keto-ethyl]cyclopentanecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H26N2O3S MolecularWeight: 374.49704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CC1(CCCC1)C(=O)OCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)NC(=O)CC1(CCCC1)C(=O)OCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H26N2O3S/c1-19(2,3)22-16(23)12-20(10-6-7-11-20)18(24)25-13-17-21-14-8-4-5-9-15(14)26-17/h4-5,8-9H,6-7,10-13H2,1-3H3,(H,22,23)