ethyl 2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylethanoate hydrochloride

Systemtic Name: ethyl 2-[5-chloranyl-1-(phenylmethyl)benzimidazol-2-yl]sulfanylethanoate hydrochloride Openeye Name: ethyl 2-(1-benzyl-5-chloro-benzimidazol-2-yl)sulfanylacetate hydrochloride CAS Name: 2-[[5-chloro-1-(phenylmethyl)-2-benzimidazolyl]thio]acetic acid ethyl ester hydrochloride IUPAC Name: ethyl 2-(1-benzyl-5-chlorobenzimidazol-2-yl)sulfanylacetate hydrochloride Traditional Name: 2-[(1-benzyl-5-chloro-benzimidazol-2-yl)thio]acetic acid ethyl ester hydrochloride Formula: C18H18Cl2N2O2S MolecularWeight: 397.31872

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)Cl.Cl

Isomeric SMILES

CCOC(=O)CSC1=NC2=C(N1CC3=CC=CC=C3)C=CC(=C2)Cl.Cl

InChI

InChI=1S/C18H17ClN2O2S.ClH/c1-2-23-17(22)12-24-18-20-15-10-14(19)8-9-16(15)21(18)11-13-6-4-3-5-7-13;/h3-10H,2,11-12H2,1H3;1H