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

Systemtic Name: [2-(methylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: [2-(methylcarbamoylamino)-2-oxo-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid [2-(methylcarbamoylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylcarbamoylamino)-2-oxoethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid [2-keto-2-(methylcarbamoylamino)ethyl] ester Formula: C15H17N3O4S2 MolecularWeight: 367.44318

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)COC(=O)CCCSC1=NC2=CC=CC=C2S1

Isomeric SMILES

CNC(=O)NC(=O)COC(=O)CCCSC1=NC2=CC=CC=C2S1

InChI

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