[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 4-tert-butylcyclohexane-1-carboxylate

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 4-tert-butylcyclohexane-1-carboxylate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] 4-tert-butylcyclohexanecarboxylate CAS Name: 4-tert-butyl-1-cyclohexanecarboxylic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 4-tert-butylcyclohexane-1-carboxylate Traditional Name: 4-tert-butylcyclohexanecarboxylic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C20H26N2O3S MolecularWeight: 374.49704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)C(=O)OCC(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)C1CCC(CC1)C(=O)OCC(=O)NC2=NC3=CC=CC=C3S2

InChI

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