[(2R)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate

Systemtic Name: [(2R)-1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Openeye Name: [(1R)-1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate CAS Name: 3-(1,3-benzothiazol-2-ylthio)propanoic acid [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propionic acid [(1R)-2-keto-1-methyl-2-(methylcarbamoylamino)ethyl] ester Formula: C15H17N3O4S2 MolecularWeight: 367.44318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC)OC(=O)CCSC1=NC2=CC=CC=C2S1

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC)OC(=O)CCSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C15H17N3O4S2/c1-9(13(20)18-14(21)16-2)22-12(19)7-8-23-15-17-10-5-3-4-6-11(10)24-15/h3-6,9H,7-8H2,1-2H3,(H2,16,18,20,21)/t9-/m1/s1