(4-tert-butylcyclohexyl) 4-(1,3-benzothiazol-2-ylamino)-4-oxidanylidene-butanoate

Systemtic Name: (4-tert-butylcyclohexyl) 4-(1,3-benzothiazol-2-ylamino)-4-oxidanylidene-butanoate Openeye Name: (4-tert-butylcyclohexyl) 4-(1,3-benzothiazol-2-ylamino)-4-oxo-butanoate CAS Name: 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoic acid (4-tert-butylcyclohexyl) ester IUPAC Name: (4-tert-butylcyclohexyl) 4-(1,3-benzothiazol-2-ylamino)-4-oxobutanoate Traditional Name: 4-(1,3-benzothiazol-2-ylamino)-4-keto-butyric acid (4-tert-butylcyclohexyl) ester Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)OC(=O)CCC(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)C1CCC(CC1)OC(=O)CCC(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H28N2O3S/c1-21(2,3)14-8-10-15(11-9-14)26-19(25)13-12-18(24)23-20-22-16-6-4-5-7-17(16)27-20/h4-7,14-15H,8-13H2,1-3H3,(H,22,23,24)