ethyl 4-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]butanoate

Systemtic Name: ethyl 4-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]butanoate Openeye Name: ethyl 4-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]butanoate CAS Name: 4-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]butanoate Traditional Name: 4-[[2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]acetyl]amino]butyric acid ethyl ester Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)NCCCC(=O)OCC

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)NCCCC(=O)OCC

InChI

InChI=1S/C17H23N3O4S/c1-3-23-12-7-8-13-14(10-12)20-17(19-13)25-11-15(21)18-9-5-6-16(22)24-4-2/h7-8,10H,3-6,9,11H2,1-2H3,(H,18,21)(H,19,20)