[2-[(4-tert-butylphenyl)carbonylamino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-[(4-tert-butylphenyl)carbonylamino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-[(4-tert-butylbenzoyl)amino]-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-[[(4-tert-butylphenyl)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-tert-butylbenzoyl)amino]-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-[(4-tert-butylbenzoyl)amino]-2-keto-ethyl] ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3

InChI

InChI=1S/C21H20N2O4S/c1-21(2,3)15-7-4-13(5-8-15)19(25)23-18(24)11-27-20(26)14-6-9-16-17(10-14)28-12-22-16/h4-10,12H,11H2,1-3H3,(H,23,24,25)