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

Systemtic Name: methyl 4-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]butanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O4S/c1-3-23-11-6-7-12-13(9-11)19-16(18-12)24-10-14(20)17-8-4-5-15(21)22-2/h6-7,9H,3-5,8,10H2,1-2H3,(H,17,20)(H,18,19)