[2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 4-(1H-benzimidazol-2-ylsulfanyl)butanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-enylcarbamoylamino)ethyl] 4-(1H-benzimidazol-2-ylsulfanyl)butanoate Openeye Name: [2-(allylcarbamoylamino)-2-oxo-ethyl] 4-(1H-benzimidazol-2-ylsulfanyl)butanoate CAS Name: 4-(1H-benzimidazol-2-ylthio)butanoic acid [2-oxo-2-[[oxo-(prop-2-enylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-enylcarbamoylamino)ethyl] 4-(1H-benzimidazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1H-benzimidazol-2-ylthio)butyric acid [2-(allylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H20N4O4S MolecularWeight: 376.4301

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)NC(=O)COC(=O)CCCSC1=NC2=CC=CC=C2N1

Isomeric SMILES

C=CCNC(=O)NC(=O)COC(=O)CCCSC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C17H20N4O4S/c1-2-9-18-16(24)21-14(22)11-25-15(23)8-5-10-26-17-19-12-6-3-4-7-13(12)20-17/h2-4,6-7H,1,5,8-11H2,(H,19,20)(H2,18,21,22,24)