[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]benzoic acid [(2R)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl] 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzoic acid [(1R)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4S/c1-9(13(15)18)20-14(19)10-6-4-5-7-11(10)21-8-12(17)16(2)3/h4-7,9H,8H2,1-3H3,(H2,15,18)/t9-/m1/s1