[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]benzoic acid [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzoic acid [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H26N2O4S MolecularWeight: 366.47504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O4S/c1-12(2)10-19-17(22)13(3)24-18(23)14-8-6-7-9-15(14)25-11-16(21)20(4)5/h6-9,12-13H,10-11H2,1-5H3,(H,19,22)/t13-/m0/s1