(3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C19H23N3O4S MolecularWeight: 389.46862

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC=CN2C

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC=CN2C

InChI

InChI=1S/C19H23N3O4S/c1-19(2,3)15(23)11-26-17(25)13-7-5-6-8-14(13)21-16(24)12-27-18-20-9-10-22(18)4/h5-10H,11-12H2,1-4H3,(H,21,24)