[1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: [1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: [2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 4-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 4-(4-thiazolylmethylthio)benzoic acid [1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylamino)-1-oxopropan-2-yl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 4-(thiazol-4-ylmethylthio)benzoic acid [2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H22N2O3S2 MolecularWeight: 378.50888

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)OC(=O)C1=CC=C(C=C1)SCC2=CSC=N2

Isomeric SMILES

CC(C(=O)NC(C)(C)C)OC(=O)C1=CC=C(C=C1)SCC2=CSC=N2

InChI

InChI=1S/C18H22N2O3S2/c1-12(16(21)20-18(2,3)4)23-17(22)13-5-7-15(8-6-13)25-10-14-9-24-11-19-14/h5-9,11-12H,10H2,1-4H3,(H,20,21)