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

Systemtic Name: [(2R)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-(1,3-dithian-2-yl)benzoate Openeye Name: [(1R)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-2-yl)benzoic acid [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 4-(1,3-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid [(1R)-2-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C16H20N2O4S2 MolecularWeight: 368.471

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O4S2/c1-10(13(19)18-16(21)17-2)22-14(20)11-4-6-12(7-5-11)15-23-8-3-9-24-15/h4-7,10,15H,3,8-9H2,1-2H3,(H2,17,18,19,21)/t10-/m1/s1