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

Systemtic Name: methyl 4-[2-(1H-benzimidazol-2-ylsulfanyl)ethanoylamino]butanoate Openeye Name: methyl 4-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]butanoate CAS Name: 4-[[2-(1H-benzimidazol-2-ylthio)-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(1H-benzimidazol-2-ylsulfanyl)acetyl]amino]butanoate Traditional Name: 4-[[2-(1H-benzimidazol-2-ylthio)acetyl]amino]butyric acid methyl ester Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O3S/c1-20-13(19)7-4-8-15-12(18)9-21-14-16-10-5-2-3-6-11(10)17-14/h2-3,5-6H,4,7-9H2,1H3,(H,15,18)(H,16,17)