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

Systemtic Name: [1-(methylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: [1-methyl-2-(methylcarbamoylamino)-2-oxo-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid [1-(methylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(methylcarbamoylamino)-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-(methylcarbamoylamino)ethyl] ester Formula: C16H19N3O4S2 MolecularWeight: 381.46976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O4S2/c1-10(14(21)19-15(22)17-2)23-13(20)8-5-9-24-16-18-11-6-3-4-7-12(11)25-16/h3-4,6-7,10H,5,8-9H2,1-2H3,(H2,17,19,21,22)