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

Systemtic Name: ethyl 4-[2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]butanoate Openeye Name: ethyl 4-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]butanoate CAS Name: 4-[[2-[(6-chloro-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]butanoate Traditional Name: 4-[[2-[(6-chloro-1H-benzimidazol-2-yl)thio]acetyl]amino]butyric acid ethyl ester Formula: C15H18ClN3O3S MolecularWeight: 355.83972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClN3O3S/c1-2-22-14(21)4-3-7-17-13(20)9-23-15-18-11-6-5-10(16)8-12(11)19-15/h5-6,8H,2-4,7,9H2,1H3,(H,17,20)(H,18,19)