[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate

Systemtic Name: [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl] 2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate Openeye Name: [2-[(3-tert-butylisoxazol-5-yl)amino]-2-oxo-ethyl] 2-(1,3-benzothiazol-2-yl)cyclohexanecarboxylate CAS Name: 2-(1,3-benzothiazol-2-yl)-1-cyclohexanecarboxylic acid [2-[(3-tert-butyl-5-isoxazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)cyclohexane-1-carboxylate Traditional Name: 2-(1,3-benzothiazol-2-yl)cyclohexanecarboxylic acid [2-[(3-tert-butylisoxazol-5-yl)amino]-2-keto-ethyl] ester Formula: C23H27N3O4S MolecularWeight: 441.54318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=C1)NC(=O)COC(=O)C2CCCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)(C)C1=NOC(=C1)NC(=O)COC(=O)C2CCCCC2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H27N3O4S/c1-23(2,3)18-12-20(30-26-18)25-19(27)13-29-22(28)15-9-5-4-8-14(15)21-24-16-10-6-7-11-17(16)31-21/h6-7,10-12,14-15H,4-5,8-9,13H2,1-3H3,(H,25,27)