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

Systemtic Name: ethyl 4-[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]butanoate Openeye Name: ethyl 4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]butanoate CAS Name: 4-[[2-[(6-methyl-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]butanoate Traditional Name: 4-[[2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetyl]amino]butyric acid ethyl ester Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)CSC1=NC2=C(N1)C=C(C=C2)C

Isomeric SMILES

CCOC(=O)CCCNC(=O)CSC1=NC2=C(N1)C=C(C=C2)C

InChI

InChI=1S/C16H21N3O3S/c1-3-22-15(21)5-4-8-17-14(20)10-23-16-18-12-7-6-11(2)9-13(12)19-16/h6-7,9H,3-5,8,10H2,1-2H3,(H,17,20)(H,18,19)