(3,3-dimethyl-2-oxidanylidene-butyl) 2-[(2S)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(2S)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(1S)-1-methyl-2-oxo-2-ureido-ethyl]sulfanylbenzoate CAS Name: 2-[[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(2S)-1-(carbamoylamino)-1-oxopropan-2-yl]sulfanylbenzoate Traditional Name: 2-[[(1S)-2-keto-1-methyl-2-ureido-ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C17H22N2O5S MolecularWeight: 366.43198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)SC1=CC=CC=C1C(=O)OCC(=O)C(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)NC(=O)N)SC1=CC=CC=C1C(=O)OCC(=O)C(C)(C)C

InChI

InChI=1S/C17H22N2O5S/c1-10(14(21)19-16(18)23)25-12-8-6-5-7-11(12)15(22)24-9-13(20)17(2,3)4/h5-8,10H,9H2,1-4H3,(H3,18,19,21,23)/t10-/m0/s1