(2S)-2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]butanoate

Systemtic Name: (2S)-2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]butanoate Openeye Name: (2S)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]butanoate CAS Name: (2S)-2-[(6-chloro-1H-benzimidazol-2-yl)thio]butanoate IUPAC Name: (2S)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]butanoate Traditional Name: (2S)-2-[(6-chloro-1H-benzimidazol-2-yl)thio]butyrate Formula: C11H10ClN2O2S- MolecularWeight: 269.7273

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])SC1=NC2=C(N1)C=C(C=C2)Cl

Isomeric SMILES

CC[C@@H](C(=O)[O-])SC1=NC2=C(N1)C=C(C=C2)Cl

InChI

InChI=1S/C11H11ClN2O2S/c1-2-9(10(15)16)17-11-13-7-4-3-6(12)5-8(7)14-11/h3-5,9H,2H2,1H3,(H,13,14)(H,15,16)/p-1/t9-/m0/s1