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

Systemtic Name: [(2S)-1-oxidanylidene-1-(propylamino)propan-2-yl] 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-(propylamino)ethyl] 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]benzoic acid [(2S)-1-oxo-1-(propylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propylamino)propan-2-yl] 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzoic acid [(1S)-2-keto-1-methyl-2-(propylamino)ethyl] ester Formula: C17H24N2O4S MolecularWeight: 352.44846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H24N2O4S/c1-5-10-18-16(21)12(2)23-17(22)13-8-6-7-9-14(13)24-11-15(20)19(3)4/h6-9,12H,5,10-11H2,1-4H3,(H,18,21)/t12-/m0/s1