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

Systemtic Name: [(2R)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 2-(1,3-benzothiazol-2-ylsulfanyl)ethanoate Openeye Name: [(1R)-1-allophanoyl-2-methyl-propyl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate CAS Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(1,3-benzothiazol-2-ylsulfanyl)acetate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)acetic acid [(1R)-1-allophanoyl-2-methyl-propyl] ester Formula: C15H17N3O4S2 MolecularWeight: 367.44318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O4S2/c1-8(2)12(13(20)18-14(16)21)22-11(19)7-23-15-17-9-5-3-4-6-10(9)24-15/h3-6,8,12H,7H2,1-2H3,(H3,16,18,20,21)/t12-/m1/s1