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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[(1S)-2-amino-1-methyl-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[(2S)-1-amino-1-oxopropan-2-yl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[(2S)-1-amino-1-oxopropan-2-yl]sulfanylbenzoate Traditional Name: 2-[[(1S)-2-amino-2-keto-1-methyl-ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO4S/c1-10(14(17)19)22-12-8-6-5-7-11(12)15(20)21-9-13(18)16(2,3)4/h5-8,10H,9H2,1-4H3,(H2,17,19)/t10-/m0/s1