[(2R)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [(1R)-1-methyl-2-oxo-2-ureido-ethyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [(1R)-2-keto-1-methyl-2-ureido-ethyl] ester Formula: C13H13N3O4S2 MolecularWeight: 339.39002

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)OC(=O)CSC1=NC2=CC=CC=C2S1

Isomeric SMILES

C[C@H](C(=O)NC(=O)N)OC(=O)CSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C13H13N3O4S2/c1-7(11(18)16-12(14)19)20-10(17)6-21-13-15-8-4-2-3-5-9(8)22-13/h2-5,7H,6H2,1H3,(H3,14,16,18,19)/t7-/m1/s1