[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H23NO4S MolecularWeight: 337.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)OC(=O)C1=CC=CC=C1SCC(=O)C

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)OC(=O)C1=CC=CC=C1SCC(=O)C

InChI

InChI=1S/C17H23NO4S/c1-11(2)9-18-16(20)13(4)22-17(21)14-7-5-6-8-15(14)23-10-12(3)19/h5-8,11,13H,9-10H2,1-4H3,(H,18,20)/t13-/m0/s1