[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 4-(1,3-dithian-2-yl)benzoate

Systemtic Name: [(2R)-1-azanyl-1-oxidanylidene-propan-2-yl] 4-(1,3-dithian-2-yl)benzoate Openeye Name: [(1R)-2-amino-1-methyl-2-oxo-ethyl] 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid [(2R)-1-amino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-amino-1-oxopropan-2-yl] 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid [(1R)-2-amino-2-keto-1-methyl-ethyl] ester Formula: C14H17NO3S2 MolecularWeight: 311.41968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)OC(=O)C1=CC=C(C=C1)C2SCCCS2

Isomeric SMILES

C[C@H](C(=O)N)OC(=O)C1=CC=C(C=C1)C2SCCCS2

InChI

InChI=1S/C14H17NO3S2/c1-9(12(15)16)18-13(17)10-3-5-11(6-4-10)14-19-7-2-8-20-14/h3-6,9,14H,2,7-8H2,1H3,(H2,15,16)/t9-/m1/s1