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

Systemtic Name: [(2R)-1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [(1R)-1-methyl-2-oxo-2-ureido-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [(1R)-2-keto-1-methyl-2-ureido-ethyl] ester Formula: C14H15N3O4S MolecularWeight: 321.3516

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)N)OC(=O)CCC1=NC2=CC=CC=C2S1

Isomeric SMILES

C[C@H](C(=O)NC(=O)N)OC(=O)CCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C14H15N3O4S/c1-8(13(19)17-14(15)20)21-12(18)7-6-11-16-9-4-2-3-5-10(9)22-11/h2-5,8H,6-7H2,1H3,(H3,15,17,19,20)/t8-/m1/s1