[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate CAS Name: 3-(1,3-benzothiazol-2-ylthio)propanoic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propionic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C16H19N3O4S2 MolecularWeight: 381.46976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O4S2/c1-9(2)13(14(21)19-15(17)22)23-12(20)7-8-24-16-18-10-5-3-4-6-11(10)25-16/h3-6,9,13H,7-8H2,1-2H3,(H3,17,19,21,22)/t13-/m1/s1