ethyl 4-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]butanoate

Systemtic Name: ethyl 4-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]butanoate Openeye Name: ethyl 4-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]butanoate CAS Name: 4-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]butanoate Traditional Name: 4-[[2-(1H-benzimidazol-2-ylthio)acetyl]amino]butyric acid ethyl ester Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)CSC1=NC2=CC=CC=C2N1

Isomeric SMILES

CCOC(=O)CCCNC(=O)CSC1=NC2=CC=CC=C2N1

InChI

InChI=1S/C15H19N3O3S/c1-2-21-14(20)8-5-9-16-13(19)10-22-15-17-11-6-3-4-7-12(11)18-15/h3-4,6-7H,2,5,8-10H2,1H3,(H,16,19)(H,17,18)