methyl 4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]butanoate

Systemtic Name: methyl 4-[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]butanoate Openeye Name: methyl 4-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]butanoate CAS Name: 4-[[2-[(6-methoxy-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]butanoate Traditional Name: 4-[[2-[(6-methoxy-1H-benzimidazol-2-yl)thio]acetyl]amino]butyric acid methyl ester Formula: C15H19N3O4S MolecularWeight: 337.39406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NCCCC(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)SCC(=O)NCCCC(=O)OC

InChI

InChI=1S/C15H19N3O4S/c1-21-10-5-6-11-12(8-10)18-15(17-11)23-9-13(19)16-7-3-4-14(20)22-2/h5-6,8H,3-4,7,9H2,1-2H3,(H,16,19)(H,17,18)