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

Systemtic Name: [1-(aminocarbonylamino)-1-oxidanylidene-propan-2-yl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: (1-methyl-2-oxo-2-ureido-ethyl) 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid [1-(carbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(carbamoylamino)-1-oxopropan-2-yl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid (2-keto-1-methyl-2-ureido-ethyl) ester Formula: C15H17N3O4S2 MolecularWeight: 367.44318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O4S2/c1-9(13(20)18-14(16)21)22-12(19)7-4-8-23-15-17-10-5-2-3-6-11(10)24-15/h2-3,5-6,9H,4,7-8H2,1H3,(H3,16,18,20,21)