[(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C17H21N3O4S2 MolecularWeight: 395.49634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)CCCSC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)[C@H](C(=O)NC(=O)N)OC(=O)CCCSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C17H21N3O4S2/c1-10(2)14(15(22)20-16(18)23)24-13(21)8-5-9-25-17-19-11-6-3-4-7-12(11)26-17/h3-4,6-7,10,14H,5,8-9H2,1-2H3,(H3,18,20,22,23)/t14-/m1/s1